N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C25H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C25H22N2O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)NCCc1ccccc1
InChI	InChI=1S/C25H22N2O4/c28-24(20-9-5-2-6-10-20)27-21(15-19-11-12-22-23(16-19)31-17-30-22)25(29)26-14-13-18-7-3-1-4-8-18/h1-12,15-16H,13-14,17H2,(H,26,29)(H,27,28)
InChIK	WQXLPIRKFCTZNC-UHFFFAOYSA-N
TotalMolweight	414.46
Molweight	414.46
MonoisotopicMass	414.157958
CLogP	4.6747
CLogS	-5.512
H Acceptors	6
H Donors	2
TotalSurfaceArea	323.69
Relative PSA	0.21317
PolarSurfaceArea	76.66
Druglikeness	3.4497
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
StereoCon

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