4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

Formula:C30H28N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is not a drug-like molecule.

MolName	4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
MolecularFormula	C30H28N3O4Cl
Smiles	O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)NCCCN(CCC1)C1=O
InChI	InChI=1S/C30H28ClN3O4/c31-24-14-10-22(11-15-24)20-34-25-5-1-2-6-26(25)38-27(30(34)37)19-21-8-12-23(13-9-21)29(36)32-16-4-18-33-17-3-7-28(33)35/h1-2,5-6,8-15,19H,3-4,7,16-18,20H2,(H,32,36)
InChIK	WSDQWKAJHWJSCB-UHFFFAOYSA-N
TotalMolweight	530.022
Molweight	530.022
MonoisotopicMass	529.176834
CLogP	4.7061
CLogS	-6.201
H Acceptors	7
H Donors	1
TotalSurfaceArea	397.54
Relative PSA	0.17025
PolarSurfaceArea	78.95
Druglikeness	4.3587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	4
Amides	3
StereoCon

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1 - 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide | 2 - 4-[(Z)-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

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