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

Formula:C21H18N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
MolecularFormula	C21H18N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C(/CC2)\c3c2cccc3)=O)c1CSc1ccccc1
InChI	InChI=1S/C21H18N8O2S/c22-19-20(27-31-26-19)29-17(12-32-14-7-2-1-3-8-14)18(24-28-29)21(30)25-23-16-11-10-13-6-4-5-9-15(13)16/h1-9H,10-12H2,(H2,22,26)(H,25,30)
InChIK	RLVFJDOONYJICU-UHFFFAOYSA-N
TotalMolweight	446.494
Molweight	446.494
MonoisotopicMass	446.127342
CLogP	4.0415
CLogS	-4.56
H Acceptors	10
H Donors	2
TotalSurfaceArea	332.44
Relative PSA	0.40197
PolarSurfaceArea	162.41
Druglikeness	0.44627
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide

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