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

Formula:C18H14N9O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-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-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C18H14N9O2ClS
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cnccc2)=O)c1CSc(cc1)ccc1Cl
InChI	InChI=1S/C18H14ClN9O2S/c19-12-3-5-13(6-4-12)31-10-14-15(23-27-28(14)17-16(20)25-30-26-17)18(29)24-22-9-11-2-1-7-21-8-11/h1-9H,10H2,(H2,20,25)(H,24,29)
InChIK	SUVLBORALZCNCX-UHFFFAOYSA-N
TotalMolweight	455.889
Molweight	455.889
MonoisotopicMass	455.067968
CLogP	3.3159
CLogS	-3.822
H Acceptors	11
H Donors	2
TotalSurfaceArea	334.39
Relative PSA	0.43243
PolarSurfaceArea	175.3
Druglikeness	2.2982
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	13
Electronegative Atoms	13
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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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide

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