bis[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-but-2-enedioate

Formula:C32H38N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C32H38N2O6
Smiles	O=C(COC(/C=C/C(OCC(N1CCC(Cc2ccccc2)CC1)=O)=O)=O)N1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C32H38N2O6/c35-29(33-17-13-27(14-18-33)21-25-7-3-1-4-8-25)23-39-31(37)11-12-32(38)40-24-30(36)34-19-15-28(16-20-34)22-26-9-5-2-6-10-26/h1-12,27-28H,13-24H2
InChIK	JBMCIPKDRGGFDQ-UHFFFAOYSA-N
TotalMolweight	546.662
Molweight	546.662
MonoisotopicMass	546.272988
CLogP	4.3258
CLogS	-3.814
H Acceptors	8
TotalSurfaceArea	434.24
Relative PSA	0.18253
PolarSurfaceArea	93.22
Druglikeness	-0.97036
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	16
Symmetricatoms	24
Amides	2
StereoCon

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