(3-propan-2-ylphenyl) 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate

Formula:C27H22N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:low (3-propan-2-ylphenyl) 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is not a drug-like molecule.

MolName	(3-propan-2-ylphenyl) 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
MolecularFormula	C27H22N2O4Cl2
Smiles	CC(C)c1cccc(OC(c(cc2)ccc2NC(C(N(C2=O)c3cc(Cl)c(C)cc3)=O)=C2Cl)=O)c1
InChI	InChI=1S/C27H22Cl2N2O4/c1-15(2)18-5-4-6-21(13-18)35-27(34)17-8-10-19(11-9-17)30-24-23(29)25(32)31(26(24)33)20-12-7-16(3)22(28)14-20/h4-15,30H,1-3H3
InChIK	ZXAZQGUPDPNWLS-UHFFFAOYSA-N
TotalMolweight	509.388
Molweight	509.388
MonoisotopicMass	508.095662
CLogP	5.8921
CLogS	-7.616
H Acceptors	6
H Donors	1
TotalSurfaceArea	367.33
Relative PSA	0.17458
PolarSurfaceArea	75.71
Druglikeness	1.56
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	3
Amides	1
StereoCon

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1 - (3-propan-2-ylphenyl) 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate | 2 - (3-propan-2-ylphenyl) 4-[[4-chloro-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate

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