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

Formula:C29H26N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none propyl 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	propyl 4-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C29H26N3O6Cl
Smiles	CCCOC(c(cc1)ccc1NC(c1cccc(NC(C(N(C2=O)c(cc(C)cc3)c3OC)=O)=C2Cl)c1)=O)=O
InChI	InChI=1S/C29H26ClN3O6/c1-4-14-39-29(37)18-9-11-20(12-10-18)32-26(34)19-6-5-7-21(16-19)31-25-24(30)27(35)33(28(25)36)22-15-17(2)8-13-23(22)38-3/h5-13,15-16,31H,4,14H2,1-3H3,(H,32,34)
InChIK	ZSCRTPLJMKKMMG-UHFFFAOYSA-N
TotalMolweight	547.993
Molweight	547.993
MonoisotopicMass	547.151014
CLogP	4.5198
CLogS	-6.78
H Acceptors	9
H Donors	2
TotalSurfaceArea	406.14
Relative PSA	0.24285
PolarSurfaceArea	114.04
Druglikeness	2.0284
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon

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

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