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

Formula:C20H18N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
MolecularFormula	C20H18N2O4
Smiles	OCCCN(C(/C=C/c(cc1)cc2c1OCO2)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C20H18N2O4/c23-11-3-10-22-19(21-16-5-2-1-4-15(16)20(22)24)9-7-14-6-8-17-18(12-14)26-13-25-17/h1-2,4-9,12,23H,3,10-11,13H2
InChIK	GBBFSBJHELANNY-UHFFFAOYSA-N
TotalMolweight	350.373
Molweight	350.373
MonoisotopicMass	350.126658
CLogP	2.8603
CLogS	-3.987
H Acceptors	6
H Donors	1
TotalSurfaceArea	264.93
Relative PSA	0.231
PolarSurfaceArea	71.36
Druglikeness	1.331
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon

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