1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide

Formula:C18H15N9O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C18H15N9O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cnccc2)=O)c1CSc1ccccc1
InChI	InChI=1S/C18H15N9O2S/c19-16-17(25-29-24-16)27-14(11-30-13-6-2-1-3-7-13)15(22-26-27)18(28)23-21-10-12-5-4-8-20-9-12/h1-10H,11H2,(H2,19,24)(H,23,28)
InChIK	LHABYPFKNHMJCJ-UHFFFAOYSA-N
TotalMolweight	421.444
Molweight	421.444
MonoisotopicMass	421.106941
CLogP	2.7099
CLogS	-3.086
H Acceptors	11
H Donors	2
TotalSurfaceArea	318.97
Relative PSA	0.45333
PolarSurfaceArea	175.3
Druglikeness	2.2679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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