N-(4-cyclohexylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

Formula:C27H35N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-cyclohexylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is not a drug-like molecule.

MolName	N-(4-cyclohexylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
MolecularFormula	C27H35N3O
Smiles	O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C27H35N3O/c31-27(28-26-15-13-25(14-16-26)24-11-5-2-6-12-24)22-30-20-18-29(19-21-30)17-7-10-23-8-3-1-4-9-23/h1,3-4,7-10,13-16,24H,2,5-6,11-12,17-22H2,(H,28,31)
InChIK	VOTFHDAYWXJOMB-UHFFFAOYSA-N
TotalMolweight	417.595
Molweight	417.595
MonoisotopicMass	417.278012
CLogP	5.0513
CLogS	-4.257
H Acceptors	4
H Donors	1
TotalSurfaceArea	346.19
Relative PSA	0.091279
PolarSurfaceArea	35.58
Druglikeness	2.3284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	8
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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