[2-(4-cyclohexylphenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C27H31NO6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-cyclohexylphenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-cyclohexylphenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C27H31NO6S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)c1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C27H31NO6S/c29-26(24-11-9-23(10-12-24)22-4-2-1-3-5-22)20-34-27(30)15-8-21-6-13-25(14-7-21)35(31,32)28-16-18-33-19-17-28/h6-15,22H,1-5,16-20H2
InChIK	KVNRZADQLDEOIT-UHFFFAOYSA-N
TotalMolweight	497.61
Molweight	497.61
MonoisotopicMass	497.187209
CLogP	4.0413
CLogS	-4.716
H Acceptors	7
TotalSurfaceArea	377
Relative PSA	0.20745
PolarSurfaceArea	98.36
Druglikeness	-3.9996
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	9
Amides	1
StereoCon

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