(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one

Formula:C26H30N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one is a drug-like molecule.

MolName	(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one
MolecularFormula	C26H30N2O2
Smiles	O=C(CCN1CCN(CCC(/C=C/c2ccccc2)=O)CC1)/C=C/c1ccccc1
InChI	InChI=1S/C26H30N2O2/c29-25(13-11-23-7-3-1-4-8-23)15-17-27-19-21-28(22-20-27)18-16-26(30)14-12-24-9-5-2-6-10-24/h1-14H,15-22H2
InChIK	LHPSANGJHALMMV-UHFFFAOYSA-N
TotalMolweight	402.536
Molweight	402.536
MonoisotopicMass	402.230728
CLogP	4.013
CLogS	-3.44
H Acceptors	4
TotalSurfaceArea	338.7
Relative PSA	0.097963
PolarSurfaceArea	40.62
Druglikeness	8.0917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73333
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	18
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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