6-[[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl]methyl]-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

Formula:C33H22N2O4 Mutagenic:low Tumorigenic:low Reproductive Effective:none 6-[[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl]methyl]-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is not a drug-like molecule.

MolName	6-[[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl]methyl]-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C33H22N2O4
Smiles	O=C1OC(/C=C/c2ccccc2)=Nc2c1cc(Cc(cc1)cc3c1N=C(/C=C/c1ccccc1)OC3=O)cc2
InChI	InChI=1S/C33H22N2O4/c36-32-26-20-24(11-15-28(26)34-30(38-32)17-13-22-7-3-1-4-8-22)19-25-12-16-29-27(21-25)33(37)39-31(35-29)18-14-23-9-5-2-6-10-23/h1-18,20-21H,19H2
InChIK	NCPNFQAIEFYQSY-UHFFFAOYSA-N
TotalMolweight	510.548
Molweight	510.548
MonoisotopicMass	510.157958
CLogP	5.5673
CLogS	-7.517
H Acceptors	6
TotalSurfaceArea	393.74
Relative PSA	0.1755
PolarSurfaceArea	77.32
Druglikeness	-0.53939
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64103
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	21
StereoCon

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