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

Formula:C28H26N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-ethyl-N-(3-methylphenyl)benzamide is not a drug-like molecule.

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-ethyl-N-(3-methylphenyl)benzamide
MolecularFormula	C28H26N3O4Cl
Smiles	CCN(C(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O)c1cc(C)ccc1
InChI	InChI=1S/C28H26ClN3O4/c1-5-31(21-11-6-8-17(2)14-21)26(33)19-9-7-10-20(16-19)30-25-24(29)27(34)32(28(25)35)22-15-18(3)12-13-23(22)36-4/h6-16,30H,5H2,1-4H3
InChIK	BVYOGZSIJRFWPL-UHFFFAOYSA-N
TotalMolweight	503.984
Molweight	503.984
MonoisotopicMass	503.161184
CLogP	4.7457
CLogS	-6.689
H Acceptors	7
H Donors	1
TotalSurfaceArea	375.73
Relative PSA	0.18013
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	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Amides	2
StereoCon

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