3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Formula:C25H17NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C25H17NO4
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)C1=C(c2ccccc2)c(cccc2)c2NC1=O
InChI	InChI=1S/C25H17NO4/c27-20(12-10-16-11-13-21-22(14-16)30-15-29-21)24-23(17-6-2-1-3-7-17)18-8-4-5-9-19(18)26-25(24)28/h1-14H,15H2,(H,26,28)
InChIK	VKKDPOUQZYMNPT-UHFFFAOYSA-N
TotalMolweight	395.413
Molweight	395.413
MonoisotopicMass	395.115759
CLogP	4.1712
CLogS	-5.914
H Acceptors	5
H Donors	1
TotalSurfaceArea	295.92
Relative PSA	0.19444
PolarSurfaceArea	64.63
Druglikeness	3.5936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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