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

Formula:C17H12N8O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C17H12N8O5
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cocc2)=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H12N8O5/c18-15-16(23-30-22-15)25-14(10-1-2-11-12(5-10)29-8-28-11)13(20-24-25)17(26)21-19-6-9-3-4-27-7-9/h1-7H,8H2,(H2,18,22)(H,21,26)
InChIK	GEOWQALULNPFER-UHFFFAOYSA-N
TotalMolweight	408.333
Molweight	408.333
MonoisotopicMass	408.093067
CLogP	2.6917
CLogS	-3.575
H Acceptors	13
H Donors	2
TotalSurfaceArea	298.91
Relative PSA	0.50266
PolarSurfaceArea	168.71
Druglikeness	1.7016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Aromatic Nitrogens	5
StereoCon

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

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