2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one

Formula:C23H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
MolecularFormula	C23H16N2O4
Smiles	Oc(cccc1)c1N(C(/C=C/c(cc1)cc2c1OCO2)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C23H16N2O4/c26-19-8-4-3-7-18(19)25-22(24-17-6-2-1-5-16(17)23(25)27)12-10-15-9-11-20-21(13-15)29-14-28-20/h1-13,26H,14H2
InChIK	PUHIQNTYRWZUEH-UHFFFAOYSA-N
TotalMolweight	384.39
Molweight	384.39
MonoisotopicMass	384.111008
CLogP	4.0758
CLogS	-5.473
H Acceptors	6
H Donors	1
TotalSurfaceArea	283.41
Relative PSA	0.21594
PolarSurfaceArea	71.36
Druglikeness	1.7006
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Amides	1
StereoCon

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