methyl 4-[3-chloro-4-[3-[(2-ethoxyphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate

Formula:C27H22N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none methyl 4-[3-chloro-4-[3-[(2-ethoxyphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate is not a drug-like molecule.

MolName	methyl 4-[3-chloro-4-[3-[(2-ethoxyphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
MolecularFormula	C27H22N3O6Cl
Smiles	CCOc(cccc1)c1NC(c1cccc(NC(C(N(C2=O)c(cc3)ccc3C(OC)=O)=O)=C2Cl)c1)=O
InChI	InChI=1S/C27H22ClN3O6/c1-3-37-21-10-5-4-9-20(21)30-24(32)17-7-6-8-18(15-17)29-23-22(28)25(33)31(26(23)34)19-13-11-16(12-14-19)27(35)36-2/h4-15,29H,3H2,1-2H3,(H,30,32)
InChIK	ICRXZIKICDRXLU-UHFFFAOYSA-N
TotalMolweight	519.94
Molweight	519.94
MonoisotopicMass	519.119714
CLogP	3.7215
CLogS	-6.166
H Acceptors	9
H Donors	2
TotalSurfaceArea	380.12
Relative PSA	0.25947
PolarSurfaceArea	114.04
Druglikeness	-1.4983
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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