3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione

Formula:C25H26N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione is a drug-like molecule.

MolName	3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
MolecularFormula	C25H26N3O4Cl
Smiles	CC(CC1)CCN1C(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O
InChI	InChI=1S/C25H26ClN3O4/c1-15-9-11-28(12-10-15)23(30)17-5-4-6-18(14-17)27-22-21(26)24(31)29(25(22)32)19-13-16(2)7-8-20(19)33-3/h4-8,13-15,27H,9-12H2,1-3H3
InChIK	OTFABXGNUPAFOV-UHFFFAOYSA-N
TotalMolweight	467.951
Molweight	467.951
MonoisotopicMass	467.161184
CLogP	3.7062
CLogS	-5.316
H Acceptors	7
H Donors	1
TotalSurfaceArea	343.99
Relative PSA	0.19675
PolarSurfaceArea	78.95
Druglikeness	3.797
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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