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

Formula:C20H14N8O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-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)-1,3-benzodioxol-5-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C20H14N8O6
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)cc3c2OCO3)=O)c1-c(cc1)cc2c1OCO2
InChI	InChI=1S/C20H14N8O6/c21-18-19(26-34-25-18)28-17(11-2-4-13-15(6-11)33-9-31-13)16(23-27-28)20(29)24-22-7-10-1-3-12-14(5-10)32-8-30-12/h1-7H,8-9H2,(H2,21,25)(H,24,29)
InChIK	XFWXYJHOGZJIDF-UHFFFAOYSA-N
TotalMolweight	462.381
Molweight	462.381
MonoisotopicMass	462.103632
CLogP	3.6684
CLogS	-4.628
H Acceptors	14
H Donors	2
TotalSurfaceArea	329.48
Relative PSA	0.4739
PolarSurfaceArea	174.03
Druglikeness	1.8775
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
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)-1,3-benzodioxol-5-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]triazole-4-carboxamide

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