1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

Formula:C18H14N8O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C18H14N8O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C(\CC2)/c3c2cccc3)=O)c1-c1cccs1
InChI	InChI=1S/C18H14N8O2S/c19-16-17(24-28-23-16)26-15(13-6-3-9-29-13)14(21-25-26)18(27)22-20-12-8-7-10-4-1-2-5-11(10)12/h1-6,9H,7-8H2,(H2,19,23)(H,22,27)
InChIK	HYHONESBWJSSSH-UHFFFAOYSA-N
TotalMolweight	406.429
Molweight	406.429
MonoisotopicMass	406.096042
CLogP	3.7998
CLogS	-3.806
H Acceptors	10
H Donors	2
TotalSurfaceArea	297.13
Relative PSA	0.45939
PolarSurfaceArea	165.35
Druglikeness	1.7442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

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