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

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

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(3,4-dimethylphenyl)benzamide
MolecularFormula	C27H24N3O4Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(Nc3cc(C)c(C)cc3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C27H24ClN3O4/c1-15-8-11-22(35-4)21(12-15)31-26(33)23(28)24(27(31)34)29-19-7-5-6-18(14-19)25(32)30-20-10-9-16(2)17(3)13-20/h5-14,29H,1-4H3,(H,30,32)
InChIK	RJCGYGXOGVAXKE-UHFFFAOYSA-N
TotalMolweight	489.958
Molweight	489.958
MonoisotopicMass	489.145534
CLogP	4.4339
CLogS	-6.757
H Acceptors	7
H Donors	2
TotalSurfaceArea	363.13
Relative PSA	0.20816
PolarSurfaceArea	87.74
Druglikeness	2.1919
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Amides	2
StereoCon

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