(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide

Formula:C33H38N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
MolecularFormula	C33H38N2O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NC1CCC(CC(CC2)CCC2NC(/C=C/c(cc2)cc3c2OCO3)=O)CC1
InChI	InChI=1S/C33H38N2O6/c36-32(15-7-24-5-13-28-30(18-24)40-20-38-28)34-26-9-1-22(2-10-26)17-23-3-11-27(12-4-23)35-33(37)16-8-25-6-14-29-31(19-25)41-21-39-29/h5-8,13-16,18-19,22-23,26-27H,1-4,9-12,17,20-21H2,(H,34,36)(H,35,37)
InChIK	OCGDODZXYLOWBX-UHFFFAOYSA-N
TotalMolweight	558.673
Molweight	558.673
MonoisotopicMass	558.272988
CLogP	6.2052
CLogS	-8.158
H Acceptors	8
H Donors	2
TotalSurfaceArea	431.8
Relative PSA	0.20611
PolarSurfaceArea	95.12
Druglikeness	-0.18538
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65854
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	19
Symmetricatoms	22
Amides	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide

Request More Details | (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide

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