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

Formula:C28H24N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none ethyl 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	ethyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C28H24N3O6Cl
Smiles	CCOC(c(cc1)ccc1NC(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O)=O
InChI	InChI=1S/C28H24ClN3O6/c1-4-38-28(36)17-9-11-19(12-10-17)31-25(33)18-6-5-7-20(15-18)30-24-23(29)26(34)32(27(24)35)21-14-16(2)8-13-22(21)37-3/h5-15,30H,4H2,1-3H3,(H,31,33)
InChIK	SFIMYDVYNNWJDS-UHFFFAOYSA-N
TotalMolweight	533.967
Molweight	533.967
MonoisotopicMass	533.135364
CLogP	4.0654
CLogS	-6.51
H Acceptors	9
H Donors	2
TotalSurfaceArea	392.38
Relative PSA	0.25136
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	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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

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