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(E)-3-[4-(difluoromethylsulfanyl)phenyl]-N-[4-[4-[[(E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide

Formula:C32H24N2O3F4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-[4-(difluoromethylsulfanyl)phenyl]-N-[4-[4-[[(E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide is not a drug-like molecule.
MolName(E)-3-[4-(difluoromethylsulfanyl)phenyl]-N-[4-[4-[[(E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
MolecularFormulaC32H24N2O3F4S2
SmilesO=C(/C=C/c(cc1)ccc1SC(F)F)Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/c(cc1)ccc1SC(F)F)=O
InChIInChI=1S/C32H24F4N2O3S2/c33-31(34)42-27-15-1-21(2-16-27)5-19-29(39)37-23-7-11-25(12-8-23)41-26-13-9-24(10-14-26)38-30(40)20-6-22-3-17-28(18-4-22)43-32(35)36/h1-20,31-32H,(H,37,39)(H,38,40)
InChIKKOZBUMCFHQKWNM-UHFFFAOYSA-N
TotalMolweight624.678
Molweight624.678
MonoisotopicMass624.116445
CLogP9.7984
CLogS-10.615
H Acceptors5
H Donors2
TotalSurfaceArea459.34
Relative PSA0.2046
PolarSurfaceArea118.03
Druglikeness-3.0781
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.72093
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms26
Amides2
StereoCon

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