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

Formula:C23H32N2O6S Mutagenic:none Tumorigenic:low Reproductive Effective:none [2-(cyclooctylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C23H32N2O6S
Smiles	O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)NC1CCCCCCC1
InChI	InChI=1S/C23H32N2O6S/c26-22(24-20-6-4-2-1-3-5-7-20)18-31-23(27)13-10-19-8-11-21(12-9-19)32(28,29)25-14-16-30-17-15-25/h8-13,20H,1-7,14-18H2,(H,24,26)
InChIK	YENMNCCOUBRZIF-UHFFFAOYSA-N
TotalMolweight	464.581
Molweight	464.581
MonoisotopicMass	464.198108
CLogP	2.9975
CLogS	-3.214
H Acceptors	8
H Donors	1
TotalSurfaceArea	356.22
Relative PSA	0.25173
PolarSurfaceArea	110.39
Druglikeness	-2.237
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	16
Symmetricatoms	8
Amides	2
StereoCon

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