[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C22H21N2O8ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C22H21N2O8ClS
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1Cl
InChI	InChI=1S/C22H21ClN2O8S/c23-17-4-3-16(34(28,29)25-7-9-30-10-8-25)12-18(17)24-21(26)13-31-22(27)6-2-15-1-5-19-20(11-15)33-14-32-19/h1-6,11-12H,7-10,13-14H2,(H,24,26)
InChIK	IURYSIZTKIIZQF-UHFFFAOYSA-N
TotalMolweight	508.934
Molweight	508.934
MonoisotopicMass	508.070715
CLogP	2.4544
CLogS	-4.054
H Acceptors	10
H Donors	1
TotalSurfaceArea	356.34
Relative PSA	0.30777
PolarSurfaceArea	128.85
Druglikeness	1.9846
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	3
Amides	2
StereoCon

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