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

Formula:C31H36N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-[4-[[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[4-[[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
MolecularFormula	C31H36N2O2Cl2
Smiles	O=C(/C=C/c(cc1)ccc1Cl)NC1CCC(CC(CC2)CCC2NC(/C=C/c(cc2)ccc2Cl)=O)CC1
InChI	InChI=1S/C31H36Cl2N2O2/c32-26-11-1-22(2-12-26)9-19-30(36)34-28-15-5-24(6-16-28)21-25-7-17-29(18-8-25)35-31(37)20-10-23-3-13-27(33)14-4-23/h1-4,9-14,19-20,24-25,28-29H,5-8,15-18,21H2,(H,34,36)(H,35,37)
InChIK	YCSDKEDZETZIMG-UHFFFAOYSA-N
TotalMolweight	539.545
Molweight	539.545
MonoisotopicMass	538.215382
CLogP	7.1944
CLogS	-8.208
H Acceptors	4
H Donors	2
TotalSurfaceArea	422.12
Relative PSA	0.11608
PolarSurfaceArea	58.2
Druglikeness	-0.085452
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72973
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	22
Amides	2
StereoCon

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

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