(E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one

Formula:C22H20N2O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormulaC22H20N2O2F2
SmilesO=C(/C=C/N(CC1)CCN1/C=C/C(c(cc1)ccc1F)=O)c(cc1)ccc1F
InChIInChI=1S/C22H20F2N2O2/c23-19-5-1-17(2-6-19)21(27)9-11-25-13-15-26(16-14-25)12-10-22(28)18-3-7-20(24)8-4-18/h1-12H,13-16H2
InChIKKOFSQBNCKQROBO-UHFFFAOYSA-N
TotalMolweight382.409
Molweight382.409
MonoisotopicMass382.149284
CLogP2.4802
CLogS-4.224
H Acceptors4
TotalSurfaceArea296.36
Relative PSA0.11196
PolarSurfaceArea40.62
Druglikeness3.8613
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms17
StereoCon

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