methyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate

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

MolName	methyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C27H22N3O6Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(Nc(cc3)ccc3C(OC)=O)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C27H22ClN3O6/c1-15-7-12-21(36-2)20(13-15)31-25(33)22(28)23(26(31)34)29-19-6-4-5-17(14-19)24(32)30-18-10-8-16(9-11-18)27(35)37-3/h4-14,29H,1-3H3,(H,30,32)
InChIK	STEDYWGDWXLGJT-UHFFFAOYSA-N
TotalMolweight	519.94
Molweight	519.94
MonoisotopicMass	519.119714
CLogP	3.6591
CLogS	-6.21
H Acceptors	9
H Donors	2
TotalSurfaceArea	378.62
Relative PSA	0.2605
PolarSurfaceArea	114.04
Druglikeness	-0.16271
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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1 - methyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate | 2 - methyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate

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