(E)-2-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)prop-2-enamide

Formula:C24H18N3O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)prop-2-enamide
MolecularFormula	C24H18N3O3Cl
Smiles	O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1Cl)NCc(cc1)cc2c1OCO2
InChI	InChI=1S/C24H18ClN3O3/c25-18-6-2-1-5-16(18)12-17(23-27-19-7-3-4-8-20(19)28-23)24(29)26-13-15-9-10-21-22(11-15)31-14-30-21/h1-12H,13-14H2,(H,26,29)(H,27,28)
InChIK	BSUVKTBOBAHQSX-UHFFFAOYSA-N
TotalMolweight	431.878
Molweight	431.878
MonoisotopicMass	431.103669
CLogP	4.389
CLogS	-5.213
H Acceptors	6
H Donors	2
TotalSurfaceArea	319.07
Relative PSA	0.2177
PolarSurfaceArea	76.24
Druglikeness	3.3095
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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