(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide

Formula:C24H22N2O2Cl2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide is not a drug-like molecule.

MolName(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
MolecularFormulaC24H22N2O2Cl2F2
SmilesO=C(/C=C/c(c(F)ccc1)c1Cl)NC(CC1)CCC1NC(/C=C/c(c(F)ccc1)c1Cl)=O
InChIInChI=1S/C24H22Cl2F2N2O2/c25-19-3-1-5-21(27)17(19)11-13-23(31)29-15-7-9-16(10-8-15)30-24(32)14-12-18-20(26)4-2-6-22(18)28/h1-6,11-16H,7-10H2,(H,29,31)(H,30,32)
InChIKRFKYVYHHQCDSDR-UHFFFAOYSA-N
TotalMolweight479.353
Molweight479.353
MonoisotopicMass478.102638
CLogP5.3282
CLogS-7.08
H Acceptors4
H Donors2
TotalSurfaceArea354.52
Relative PSA0.13822
PolarSurfaceArea58.2
Druglikeness-1.4255
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms17
Amides2
StereoCon

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