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(E)-2-cyano-N-[6-[[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-(2-cyanoethyl)amino]hexyl]-N-(2-cyanoethyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

Formula:C34H32N6O4F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-[6-[[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-(2-cyanoethyl)amino]hexyl]-N-(2-cyanoethyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is not a drug-like molecule.
MolName(E)-2-cyano-N-[6-[[(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-(2-cyanoethyl)amino]hexyl]-N-(2-cyanoethyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
MolecularFormulaC34H32N6O4F4
SmilesN#CCCN(CCCCCCN(CCC#N)C(/C(/C#N)=C/c(cc1)ccc1OC(F)F)=O)C(/C(/C#N)=C/c(cc1)ccc1OC(F)F)=O
InChIInChI=1S/C34H32F4N6O4/c35-33(36)47-29-11-7-25(8-12-29)21-27(23-41)31(45)43(19-5-15-39)17-3-1-2-4-18-44(20-6-16-40)32(46)28(24-42)22-26-9-13-30(14-10-26)48-34(37)38/h7-14,21-22,33-34H,1-6,17-20H2
InChIKLVAKJRDDJHCLQG-UHFFFAOYSA-N
TotalMolweight664.658
Molweight664.658
MonoisotopicMass664.242116
CLogP5.2966
CLogS-7.178
H Acceptors10
TotalSurfaceArea533.38
Relative PSA0.20139
PolarSurfaceArea154.24
Druglikeness-10.795
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.58333
Fragments1
Non HAtoms48
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond19
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Symmetricatoms27
Amides2
StereoCon

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