2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C23H22N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C23H22N2O7S
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)OCCN(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C23H22N2O7S/c26-21(32-16-13-25-22(27)19-3-1-2-4-20(19)23(25)28)10-7-17-5-8-18(9-6-17)33(29,30)24-11-14-31-15-12-24/h1-10H,11-16H2
InChIK	FBSLTGUEHVFWOA-UHFFFAOYSA-N
TotalMolweight	470.501
Molweight	470.501
MonoisotopicMass	470.114773
CLogP	1.7736
CLogS	-2.574
H Acceptors	9
TotalSurfaceArea	337.51
Relative PSA	0.28088
PolarSurfaceArea	118.67
Druglikeness	-8.6438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	10
Amides	2
StereoCon

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