3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-ethyl-N-phenylbenzamide

Formula:C27H24N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-ethyl-N-phenylbenzamide is a drug-like molecule.

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-ethyl-N-phenylbenzamide
MolecularFormula	C27H24N3O4Cl
Smiles	CCN(C(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O)c1ccccc1
InChI	InChI=1S/C27H24ClN3O4/c1-4-30(20-11-6-5-7-12-20)25(32)18-9-8-10-19(16-18)29-24-23(28)26(33)31(27(24)34)21-15-17(2)13-14-22(21)35-3/h5-16,29H,4H2,1-3H3
InChIK	OEIOAMPBGDCPSR-UHFFFAOYSA-N
TotalMolweight	489.958
Molweight	489.958
MonoisotopicMass	489.145534
CLogP	4.4018
CLogS	-6.345
H Acceptors	7
H Donors	1
TotalSurfaceArea	363.47
Relative PSA	0.18621
PolarSurfaceArea	78.95
Druglikeness	3.1099
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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