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

Formula:C29H26N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:low propyl 2-[[3-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate is not a drug-like molecule.

MolName	propyl 2-[[3-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C29H26N3O5Cl
Smiles	CCCOC(c(cccc1)c1NC(c1cccc(NC(C(N(C2=O)c3ccc(CC)cc3)=O)=C2Cl)c1)=O)=O
InChI	InChI=1S/C29H26ClN3O5/c1-3-16-38-29(37)22-10-5-6-11-23(22)32-26(34)19-8-7-9-20(17-19)31-25-24(30)27(35)33(28(25)36)21-14-12-18(4-2)13-15-21/h5-15,17,31H,3-4,16H2,1-2H3,(H,32,34)
InChIK	IGQQVCDYGPMFBL-UHFFFAOYSA-N
TotalMolweight	531.994
Molweight	531.994
MonoisotopicMass	531.156099
CLogP	5.0054
CLogS	-6.921
H Acceptors	8
H Donors	2
TotalSurfaceArea	397.64
Relative PSA	0.22289
PolarSurfaceArea	104.81
Druglikeness	1.9225
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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

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