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

Formula:C24H24N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(piperidine-1-carbonyl)anilino]pyrrole-2,5-dione is a drug-like molecule.

MolName	3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(piperidine-1-carbonyl)anilino]pyrrole-2,5-dione
MolecularFormula	C24H24N3O4Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(N3CCCCC3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C24H24ClN3O4/c1-15-9-10-19(32-2)18(13-15)28-23(30)20(25)21(24(28)31)26-17-8-6-7-16(14-17)22(29)27-11-4-3-5-12-27/h6-10,13-14,26H,3-5,11-12H2,1-2H3
InChIK	CVGOUSDBHUTLCE-UHFFFAOYSA-N
TotalMolweight	453.925
Molweight	453.925
MonoisotopicMass	453.145534
CLogP	3.4369
CLogS	-5.156
H Acceptors	7
H Donors	1
TotalSurfaceArea	332.99
Relative PSA	0.20325
PolarSurfaceArea	78.95
Druglikeness	1.6117
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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