(E)-3-(1,3-benzodioxol-5-yl)-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

Formula:C23H23N2O6F3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
MolecularFormula	C23H23N2O6F3S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc(cc1)S(N2CCCCC2)(=O)=O)c1OCC(F)(F)F
InChI	InChI=1S/C23H23F3N2O6S/c24-23(25,26)14-32-19-8-6-17(35(30,31)28-10-2-1-3-11-28)13-18(19)27-22(29)9-5-16-4-7-20-21(12-16)34-15-33-20/h4-9,12-13H,1-3,10-11,14-15H2,(H,27,29)
InChIK	IVOFBEXPIRUXAQ-UHFFFAOYSA-N
TotalMolweight	512.504
Molweight	512.504
MonoisotopicMass	512.122892
CLogP	4.2751
CLogS	-5.362
H Acceptors	8
H Donors	1
TotalSurfaceArea	356.39
Relative PSA	0.24308
PolarSurfaceArea	102.55
Druglikeness	-6.4261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	5
Amides	2
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

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