[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate

Formula:C22H22N2O6F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
MolecularFormula	C22H22N2O6F2S
Smiles	O=C(COC(/C=C/c(cc1)ccc1OC(F)F)=O)Nc(cc1)ccc1S(N1CCCC1)(=O)=O
InChI	InChI=1S/C22H22F2N2O6S/c23-22(24)32-18-8-3-16(4-9-18)5-12-21(28)31-15-20(27)25-17-6-10-19(11-7-17)33(29,30)26-13-1-2-14-26/h3-12,22H,1-2,13-15H2,(H,25,27)
InChIK	RRZPCTIHSRFTFH-UHFFFAOYSA-N
TotalMolweight	480.487
Molweight	480.487
MonoisotopicMass	480.116664
CLogP	2.7284
CLogS	-3.848
H Acceptors	8
H Donors	1
TotalSurfaceArea	345.86
Relative PSA	0.25927
PolarSurfaceArea	110.39
Druglikeness	1.2084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	8
Amides	2
StereoCon

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