(2-oxo-1,2-diphenylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C27H25NO6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-oxo-1,2-diphenylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	(2-oxo-1,2-diphenylethyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C27H25NO6S
Smiles	O=C(C(c1ccccc1)OC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)c1ccccc1
InChI	InChI=1S/C27H25NO6S/c29-25(34-27(23-9-5-2-6-10-23)26(30)22-7-3-1-4-8-22)16-13-21-11-14-24(15-12-21)35(31,32)28-17-19-33-20-18-28/h1-16,27H,17-20H2/t27-/m1/s1
InChIK	XNXCPGANCURSPJ-HHHXNRCGSA-N
TotalMolweight	491.563
Molweight	491.563
MonoisotopicMass	491.140259
CLogP	3.203
CLogS	-4.043
H Acceptors	7
TotalSurfaceArea	367.7
Relative PSA	0.2127
PolarSurfaceArea	98.36
Druglikeness	-4.0188
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	9
Amides	1
StereoCon	racemate

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