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

Formula:C23H16N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenylquinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenylquinazolin-4-one
MolecularFormula	C23H16N2O3
Smiles	O=C(c(cccc1)c1N=C1/C=C/c(cc2)cc3c2OCO3)N1c1ccccc1
InChI	InChI=1S/C23H16N2O3/c26-23-18-8-4-5-9-19(18)24-22(25(23)17-6-2-1-3-7-17)13-11-16-10-12-20-21(14-16)28-15-27-20/h1-14H,15H2
InChIK	HDRRBZZHOBBGKT-UHFFFAOYSA-N
TotalMolweight	368.391
Molweight	368.391
MonoisotopicMass	368.116093
CLogP	4.4215
CLogS	-5.769
H Acceptors	5
TotalSurfaceArea	277.06
Relative PSA	0.17361
PolarSurfaceArea	51.13
Druglikeness	1.6774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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