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

Formula:C19H15N7O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
MolecularFormula	C19H15N7O4
Smiles	Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C19H15N7O4/c20-18-17(24-30-25-18)19-22-12-3-1-2-4-13(12)26(19)9-16(27)23-21-8-11-5-6-14-15(7-11)29-10-28-14/h1-8H,9-10H2,(H2,20,25)(H,23,27)
InChIK	UQAFCGKKAQPGKO-UHFFFAOYSA-N
TotalMolweight	405.373
Molweight	405.373
MonoisotopicMass	405.118553
CLogP	2.4594
CLogS	-4.454
H Acceptors	11
H Donors	2
TotalSurfaceArea	299.06
Relative PSA	0.41854
PolarSurfaceArea	142.68
Druglikeness	6.6084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide

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