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

Formula:C23H22N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)anilino]pyrrole-2,5-dione is a drug-like molecule.

MolName	3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)anilino]pyrrole-2,5-dione
MolecularFormula	C23H22N3O4Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(N3CCCC3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C23H22ClN3O4/c1-14-8-9-18(31-2)17(12-14)27-22(29)19(24)20(23(27)30)25-16-7-5-6-15(13-16)21(28)26-10-3-4-11-26/h5-9,12-13,25H,3-4,10-11H2,1-2H3
InChIK	ZOINXKJUWIBHRM-UHFFFAOYSA-N
TotalMolweight	439.898
Molweight	439.898
MonoisotopicMass	439.129884
CLogP	3.0949
CLogS	-4.886
H Acceptors	7
H Donors	1
TotalSurfaceArea	319.23
Relative PSA	0.21201
PolarSurfaceArea	78.95
Druglikeness	3.6133
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon

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