3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclohexyl-N-methylbenzamide

Formula:C26H28N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclohexyl-N-methylbenzamide is a drug-like molecule.

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclohexyl-N-methylbenzamide
MolecularFormula	C26H28N3O4Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(N(C)C3CCCCC3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C26H28ClN3O4/c1-16-12-13-21(34-3)20(14-16)30-25(32)22(27)23(26(30)33)28-18-9-7-8-17(15-18)24(31)29(2)19-10-5-4-6-11-19/h7-9,12-15,19,28H,4-6,10-11H2,1-3H3
InChIK	YXADALRAGWLNCT-UHFFFAOYSA-N
TotalMolweight	481.978
Molweight	481.978
MonoisotopicMass	481.176834
CLogP	3.8596
CLogS	-5.774
H Acceptors	7
H Donors	1
TotalSurfaceArea	357.75
Relative PSA	0.18918
PolarSurfaceArea	78.95
Druglikeness	-1.6146
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amides	2
StereoCon

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