Рассчитанные молекулярные свойства сульфадимезина методом АМ1
Полная энергия: -78205,17969
Binding energy: 3420,6650
Heat of formation: -3,0390
Electronic energy: -497884,4375
Nuclear energy: 419679,25
Дипольный момент: 7,099
RMS градиент: 0,09731
Градиент X: 0,05463
Градиент Y: 0,06094
Градиент Z: 0,05265
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29 Substructure descriptors; 0 new. |
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Antibacterial |
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Teratogen |
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Carcinogenic |
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Antibiotic |
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Carcinogenic, group 3 |
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Carcinogenic, female rats |
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Carcinogenic, male rats |
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CYP2 substrate |
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Carcinogenic, female mice |
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Carcinogenic, male mice |
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CYP3A substrate |
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CYP2B substrate |
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CYP1A substrate |
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CYP1A1 substrate |
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CYP2C substrate |
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CYP2C11 substrate |
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Diamine N-acetyltransferase inhibitor |
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28 Possible activities at Pa > 50% |
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Pa Pi Activity: |
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0,970 0,002 Antiprotozoal (Toxoplasma) |
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0,938 0,002 Dihydropteroate synthase inhibitor |
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0,881 0,004 Para amino benzoic acid antagonist |
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0,791 0,049 Hematotoxic |
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0,758 0,018 Antineoplastic (colorectal cancer) |
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0,795 0,073 Prolyl aminopeptidase inhibitor |
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0,708 0,041 Dopamine D4 agonist |
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0,699 0,032 Antineoplastic (brain cancer) |
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0,677 0,029 Torsades de pointes |
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0,656 0,041 Oxidoreductase inhibitor |
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0,621 0,015 Prostaglandin H2 antagonist |
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0,616 0,011 Cytochrome P450 CYP2C9 inhibitor |
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0,651 0,055 Arrhythogenic |
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0,635 0,042 Laccase inhibitor |
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0,598 0,020 Antiviral (Picornavirus) |
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0,599 0,037 Thiol oxidase inhibitor |
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0,575 0,048 Cathepsin G inhibitor |
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0,569 0,044 Gingipain K inhibitor |
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0,536 0,012 Antidiabetic |
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0,558 0,037 CYP3A2 substrate |
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0,555 0,035 Antiinflammatory, intestinal |
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0,506 0,006 HIV-1 integrase (3'-Processing) inhibitor |
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0,505 0,025 Prostaglandin E1 antagonist |
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0,514 0,036 Collagen inhibitor |
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0,521 0,044 2,3-Dihydroxybenzoate 2,3-dioxygenase inhibitor |
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0,529 0,059 Indole 2,3-dioxygenase inhibitor |
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0,512 0,047 Cytochrome P450 inhibitor |
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0,531 0,203 Antinephritic |
Осмий - благородный металл
ОСМИЙ
(лат. Osmium), Os, химический элемент VIII группы периодической системы,
атомный номер 76, атомная масса 190,2, относится к платиновым металлам.
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