1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide

Formula:C19H17N9O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C19H17N9O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccs2)=O)c1CN(CC1)c2c1cccc2
InChI	InChI=1S/C19H17N9O2S/c20-17-18(25-30-24-17)28-15(11-27-8-7-12-4-1-2-6-14(12)27)16(22-26-28)19(29)23-21-10-13-5-3-9-31-13/h1-6,9-10H,7-8,11H2,(H2,20,24)(H,23,29)
InChIK	LDVAZELRVQCKIF-UHFFFAOYSA-N
TotalMolweight	435.471
Molweight	435.471
MonoisotopicMass	435.122591
CLogP	3.0679
CLogS	-3.17
H Acceptors	11
H Donors	2
TotalSurfaceArea	322.98
Relative PSA	0.43362
PolarSurfaceArea	168.59
Druglikeness	4.6278
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-N-[(Z)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide

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