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

Formula:C30H28N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none butyl 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	butyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C30H28N3O6Cl
Smiles	CCCCOC(c(cc1)ccc1NC(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O)=O
InChI	InChI=1S/C30H28ClN3O6/c1-4-5-15-40-30(38)19-10-12-21(13-11-19)33-27(35)20-7-6-8-22(17-20)32-26-25(31)28(36)34(29(26)37)23-16-18(2)9-14-24(23)39-3/h6-14,16-17,32H,4-5,15H2,1-3H3,(H,33,35)
InChIK	MITRUHAZGDSULA-UHFFFAOYSA-N
TotalMolweight	562.02
Molweight	562.02
MonoisotopicMass	561.166664
CLogP	4.9742
CLogS	-7.05
H Acceptors	9
H Donors	2
TotalSurfaceArea	419.9
Relative PSA	0.23489
PolarSurfaceArea	114.04
Druglikeness	-2.7424
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.575
Fragments	1
Non HAtoms	40
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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

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