3-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-hydroxyphenyl)benzamide

Formula:C25H20N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-hydroxyphenyl)benzamide is a drug-like molecule.

MolName	3-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-hydroxyphenyl)benzamide
MolecularFormula	C25H20N3O4Cl
Smiles	Cc(cc1)c(C)cc1N(C(C(Nc1cc(C(Nc(cccc2)c2O)=O)ccc1)=C1Cl)=O)C1=O
InChI	InChI=1S/C25H20ClN3O4/c1-14-10-11-18(12-15(14)2)29-24(32)21(26)22(25(29)33)27-17-7-5-6-16(13-17)23(31)28-19-8-3-4-9-20(19)30/h3-13,27,30H,1-2H3,(H,28,31)
InChIK	GGXTWDXDJZQQCN-UHFFFAOYSA-N
TotalMolweight	461.904
Molweight	461.904
MonoisotopicMass	461.114234
CLogP	3.8143
CLogS	-6.099
H Acceptors	7
H Donors	3
TotalSurfaceArea	334.96
Relative PSA	0.23492
PolarSurfaceArea	98.74
Druglikeness	2.1724
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Amides	2
StereoCon

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