[2-(1-adamantylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Formula:C22H28N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-(1-adamantylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.

MolName	[2-(1-adamantylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
MolecularFormula	C22H28N2O5S
Smiles	O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C22H28N2O5S/c25-20(24-22-11-17-8-18(12-22)10-19(9-17)13-22)15-29-21(26)14-23-30(27,28)7-6-16-4-2-1-3-5-16/h1-7,17-19,23H,8-15H2,(H,24,25)
InChIK	BBWNGSAKLRWGTE-UHFFFAOYSA-N
TotalMolweight	432.539
Molweight	432.539
MonoisotopicMass	432.171893
CLogP	2.0277
CLogS	-4.604
H Acceptors	7
H Donors	2
TotalSurfaceArea	314.25
Relative PSA	0.2787
PolarSurfaceArea	109.95
Druglikeness	2.378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	9
Amides	2
StereoCon

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