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

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

MolName(E)-3-(4-fluorophenyl)-1-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormulaC22H20N2O2F2
SmilesO=C(/C=C/c(cc1)ccc1F)N(CC1)CCN1C(/C=C/c(cc1)ccc1F)=O
InChIInChI=1S/C22H20F2N2O2/c23-19-7-1-17(2-8-19)5-11-21(27)25-13-15-26(16-14-25)22(28)12-6-18-3-9-20(24)10-4-18/h1-12H,13-16H2
InChIKYSFAUMCHSIQDPO-UHFFFAOYSA-N
TotalMolweight382.409
Molweight382.409
MonoisotopicMass382.149284
CLogP3.8038
CLogS-3.648
H Acceptors4
TotalSurfaceArea296.36
Relative PSA0.11196
PolarSurfaceArea40.62
Druglikeness4.1648
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms17
Amides2
StereoCon

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