2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C22H16N7O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormula	C22H16N7O3Cl
Smiles	Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C/c1ccc(-c(cc2)ccc2Cl)o1)=O
InChI	InChI=1S/C22H16ClN7O3/c23-14-7-5-13(6-8-14)18-10-9-15(32-18)11-25-27-19(31)12-30-17-4-2-1-3-16(17)26-22(30)20-21(24)29-33-28-20/h1-11H,12H2,(H2,24,29)(H,27,31)
InChIK	ZSLDBYDRXFTYPD-UHFFFAOYSA-N
TotalMolweight	461.868
Molweight	461.868
MonoisotopicMass	461.100315
CLogP	3.8929
CLogS	-5.939
H Acceptors	10
H Donors	2
TotalSurfaceArea	343.67
Relative PSA	0.34708
PolarSurfaceArea	137.36
Druglikeness	8.6046
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
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-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide

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