2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one

Formula:C27H23N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
MolecularFormula	C27H23N3O2
Smiles	OCCN(C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C27H23N3O2/c31-17-16-30-26(28-24-12-6-4-11-23(24)27(30)32)15-14-21-19-29(18-20-8-2-1-3-9-20)25-13-7-5-10-22(21)25/h1-15,19,31H,16-18H2
InChIK	YYZZDMUQTBYLHW-UHFFFAOYSA-N
TotalMolweight	421.499
Molweight	421.499
MonoisotopicMass	421.179027
CLogP	3.8242
CLogS	-3.984
H Acceptors	5
H Donors	1
TotalSurfaceArea	328.23
Relative PSA	0.14645
PolarSurfaceArea	57.83
Druglikeness	3.5267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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