(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide

Formula:C31H34N2O2Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
MolecularFormula	C31H34N2O2Cl4
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)NC1CCC(CC(CC2)CCC2NC(/C=C/c(cc2)cc(Cl)c2Cl)=O)CC1
InChI	InChI=1S/C31H34Cl4N2O2/c32-26-13-5-22(18-28(26)34)7-15-30(38)36-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)37-31(39)16-8-23-6-14-27(33)29(35)19-23/h5-8,13-16,18-21,24-25H,1-4,9-12,17H2,(H,36,38)(H,37,39)
InChIK	PLLGEQZPFBKLFZ-UHFFFAOYSA-N
TotalMolweight	608.435
Molweight	608.435
MonoisotopicMass	606.137436
CLogP	8.4064
CLogS	-9.68
H Acceptors	4
H Donors	2
TotalSurfaceArea	452.96
Relative PSA	0.10818
PolarSurfaceArea	58.2
Druglikeness	-0.085452
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	21
Amides	2
StereoCon

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1 - (E)-3-(3,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide

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