[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C19H22N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C19H22N2O7S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N(CCC1)C1=O
InChI	InChI=1S/C19H22N2O7S/c22-17-2-1-9-21(17)18(23)14-28-19(24)8-5-15-3-6-16(7-4-15)29(25,26)20-10-12-27-13-11-20/h3-8H,1-2,9-14H2
InChIK	OTMHEUDRHRREBD-UHFFFAOYSA-N
TotalMolweight	422.457
Molweight	422.457
MonoisotopicMass	422.114773
CLogP	0.5196
CLogS	-1.406
H Acceptors	9
TotalSurfaceArea	305.27
Relative PSA	0.31054
PolarSurfaceArea	118.67
Druglikeness	2.6541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	5
Amides	2
StereoCon

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