ethyl (3R,6S)-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate

Formula:C17H20N2O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (3R,6S)-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate is a drug-like molecule.

MolName	ethyl (3R,6S)-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
MolecularFormula	C17H20N2O6S
Smiles	CCOC([C@H](CS[C@H]1CC(Nc(cc2)ccc2C(OC)=O)=O)NC1=O)=O
InChI	InChI=1S/C17H20N2O6S/c1-3-25-17(23)12-9-26-13(15(21)19-12)8-14(20)18-11-6-4-10(5-7-11)16(22)24-2/h4-7,12-13H,3,8-9H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
InChIK	MPWLVKLYSAQSJO-STQMWFEESA-N
TotalMolweight	380.42
Molweight	380.42
MonoisotopicMass	380.104208
CLogP	0.7294
CLogS	-2.766
H Acceptors	8
H Donors	2
TotalSurfaceArea	281.97
Relative PSA	0.39923
PolarSurfaceArea	136.1
Druglikeness	-0.18967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	2
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

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