1,4-bis[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione

Formula:C30H38N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 1,4-bis[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione is a drug-like molecule.

MolName	1,4-bis[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione
MolecularFormula	C30H38N4O2
Smiles	O=C(CCC(N1CCN(C/C=C/c2ccccc2)CC1)=O)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C30H38N4O2/c35-29(33-23-19-31(20-24-33)17-7-13-27-9-3-1-4-10-27)15-16-30(36)34-25-21-32(22-26-34)18-8-14-28-11-5-2-6-12-28/h1-14H,15-26H2
InChIK	NPMGCOCMPBUAPI-UHFFFAOYSA-N
TotalMolweight	486.658
Molweight	486.658
MonoisotopicMass	486.299476
CLogP	4.2892
CLogS	-2.552
H Acceptors	6
TotalSurfaceArea	400.84
Relative PSA	0.10049
PolarSurfaceArea	47.1
Druglikeness	6.6825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	22
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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