2-[4-[[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(3,5-dimethylphenyl)acetamide

Formula:C27H23N3O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[4-[[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(3,5-dimethylphenyl)acetamide is not a drug-like molecule.

MolName	2-[4-[[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(3,5-dimethylphenyl)acetamide
MolecularFormula	C27H23N3O3Cl2
Smiles	Cc1cc(NC(Cc(cc2)ccc2NC(C(N(C2=O)c3cccc(Cl)c3C)=O)=C2Cl)=O)cc(C)c1
InChI	InChI=1S/C27H23Cl2N3O3/c1-15-11-16(2)13-20(12-15)30-23(33)14-18-7-9-19(10-8-18)31-25-24(29)26(34)32(27(25)35)22-6-4-5-21(28)17(22)3/h4-13,31H,14H2,1-3H3,(H,30,33)
InChIK	FKURHKKVZJQHAZ-UHFFFAOYSA-N
TotalMolweight	508.404
Molweight	508.404
MonoisotopicMass	507.111646
CLogP	5.108
CLogS	-7.44
H Acceptors	6
H Donors	2
TotalSurfaceArea	370.05
Relative PSA	0.17725
PolarSurfaceArea	78.51
Druglikeness	2.3316
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
Amides	2
StereoCon

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1 - 2-[4-[[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(3,5-dimethylphenyl)acetamide | 2 - 2-[4-[[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(3,5-dimethylphenyl)acetamide

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