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(E)-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C27H27N3O5F6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
MolName(E)-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormulaC27H27N3O5F6S
Smiles[O-][N+](c(cc(C(F)(F)F)cc1)c1S(N(CC1)CCC1C(CC1)CCN1C(/C=C/c1cc(C(F)(F)F)ccc1)=O)(=O)=O)=O
InChIInChI=1S/C27H27F6N3O5S/c28-26(29,30)21-3-1-2-18(16-21)4-7-25(37)34-12-8-19(9-13-34)20-10-14-35(15-11-20)42(40,41)24-6-5-22(27(31,32)33)17-23(24)36(38)39/h1-7,16-17,19-20H,8-15H2
InChIKIZCWQJMFORUJAP-UHFFFAOYSA-N
TotalMolweight619.581
Molweight619.581
MonoisotopicMass619.15756
CLogP5.0299
CLogS-5.648
H Acceptors8
TotalSurfaceArea417.12
Relative PSA0.18973
PolarSurfaceArea111.89
Druglikeness-10.57
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.54762
Fragments1
Non HAtoms42
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms14
Symmetricatoms9
Amides2
AcidicOxygens1
StereoCon

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