N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H20N2O4 Mutagenic:low Tumorigenic:high Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H20N2O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)Nc1cc2ccccc2cc1
InChI	InChI=1S/C27H20N2O4/c30-26(20-7-2-1-3-8-20)29-23(14-18-10-13-24-25(15-18)33-17-32-24)27(31)28-22-12-11-19-6-4-5-9-21(19)16-22/h1-16H,17H2,(H,28,31)(H,29,30)
InChIK	YJIBAQUBWDPVLA-UHFFFAOYSA-N
TotalMolweight	436.466
Molweight	436.466
MonoisotopicMass	436.142308
CLogP	5.7296
CLogS	-7.19
H Acceptors	6
H Donors	2
TotalSurfaceArea	330.77
Relative PSA	0.2086
PolarSurfaceArea	76.66
Druglikeness	2.9018
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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