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

Formula:C31H24N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-phenoxyphenyl)benzamide is not a drug-like molecule.

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
MolecularFormula	C31H24N3O5Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(Nc(cc3)ccc3Oc3ccccc3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C31H24ClN3O5/c1-19-11-16-26(39-2)25(17-19)35-30(37)27(32)28(31(35)38)33-22-8-6-7-20(18-22)29(36)34-21-12-14-24(15-13-21)40-23-9-4-3-5-10-23/h3-18,33H,1-2H3,(H,34,36)
InChIK	KDXMOJCLBJSXEC-UHFFFAOYSA-N
TotalMolweight	554.001
Molweight	554.001
MonoisotopicMass	553.140449
CLogP	5.1417
CLogS	-8.366
H Acceptors	8
H Donors	2
TotalSurfaceArea	408.37
Relative PSA	0.20959
PolarSurfaceArea	96.97
Druglikeness	2.1879
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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