methyl 5-[(2S,3R,4R)-4-benzamido-3-hydroxythiolan-2-yl]pentanoate

Formula:C17H23NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl 5-[(2S,3R,4R)-4-benzamido-3-hydroxythiolan-2-yl]pentanoate is a drug-like molecule.

MolName	methyl 5-[(2S,3R,4R)-4-benzamido-3-hydroxythiolan-2-yl]pentanoate
MolecularFormula	C17H23NO4S
Smiles	COC(CCCC[C@@H]([C@@H]1O)SC[C@@H]1NC(c1ccccc1)=O)=O
InChI	InChI=1S/C17H23NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-8,13-14,16,20H,5-6,9-11H2,1H3,(H,18,21)/t13-,14+,16+/m1/s1
InChIK	MKXMYDFBYDXTMK-YCPHGPKFSA-N
TotalMolweight	337.439
Molweight	337.439
MonoisotopicMass	337.134779
CLogP	2.3442
CLogS	-3.202
H Acceptors	5
H Donors	2
TotalSurfaceArea	259.12
Relative PSA	0.30152
PolarSurfaceArea	100.93
Druglikeness	-18.264
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	3
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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