(E)-1-(3,4-dichlorophenyl)-5-[4-[(E)-5-(3,4-dichlorophenyl)-3-oxopent-4-enyl]piperazin-1-yl]pent-1-en-3-one

Formula:C26H26N2O2Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3,4-dichlorophenyl)-5-[4-[(E)-5-(3,4-dichlorophenyl)-3-oxopent-4-enyl]piperazin-1-yl]pent-1-en-3-one is not a drug-like molecule.

MolName	(E)-1-(3,4-dichlorophenyl)-5-[4-[(E)-5-(3,4-dichlorophenyl)-3-oxopent-4-enyl]piperazin-1-yl]pent-1-en-3-one
MolecularFormula	C26H26N2O2Cl4
Smiles	O=C(CCN1CCN(CCC(/C=C/c(cc2)cc(Cl)c2Cl)=O)CC1)/C=C/c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C26H26Cl4N2O2/c27-23-7-3-19(17-25(23)29)1-5-21(33)9-11-31-13-15-32(16-14-31)12-10-22(34)6-2-20-4-8-24(28)26(30)18-20/h1-8,17-18H,9-16H2
InChIK	XVVHJQMRRRNRAI-UHFFFAOYSA-N
TotalMolweight	540.316
Molweight	540.316
MonoisotopicMass	538.074836
CLogP	6.437
CLogS	-6.384
H Acceptors	4
TotalSurfaceArea	400.38
Relative PSA	0.082871
PolarSurfaceArea	40.62
Druglikeness	8.0917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
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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1 - (E)-1-(3,4-dichlorophenyl)-5-[4-[(E)-5-(3,4-dichlorophenyl)-3-oxopent-4-enyl]piperazin-1-yl]pent-1-en-3-one | 2 - (E)-1-(3,4-dichlorophenyl)-5-[4-[(E)-5-(3,4-dichlorophenyl)-3-oxopent-4-enyl]piperazin-1-yl]pent-1-en-3-one

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