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

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

MolName	ethyl 3-[3-chloro-4-[3-[(4-methoxyphenyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
MolecularFormula	C27H22N3O6Cl
Smiles	CCOC(c1cccc(N(C(C(Nc2cc(C(Nc(cc3)ccc3OC)=O)ccc2)=C2Cl)=O)C2=O)c1)=O
InChI	InChI=1S/C27H22ClN3O6/c1-3-37-27(35)17-7-5-9-20(15-17)31-25(33)22(28)23(26(31)34)29-19-8-4-6-16(14-19)24(32)30-18-10-12-21(36-2)13-11-18/h4-15,29H,3H2,1-2H3,(H,30,32)
InChIK	TVTMMFYHXGXHNS-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	-1.5721
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.59459
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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