(2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoate

Formula:C21H18NO6S Mutagenic:none Tumorigenic:none Reproductive Effective:high (2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoate is a drug-like molecule.

MolName	(2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoate
MolecularFormula	C21H18NO6S
Smiles	[O-]C([C@H](CSCc1ccccc1)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O
InChI	InChI=1S/C21H19NO6S/c23-15-6-7-16-14(9-20(25)28-18(16)10-15)8-19(24)22-17(21(26)27)12-29-11-13-4-2-1-3-5-13/h1-7,9-10,17,23H,8,11-12H2,(H,22,24)(H,26,27)/p-1/t17-/m0/s1
InChIK	HUKWUYRJEKGMFU-KRWDZBQOSA-M
TotalMolweight	412.441
Molweight	412.441
MonoisotopicMass	412.085484
CLogP	-0.5916
CLogS	-3.649
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.09
Relative PSA	0.34677
PolarSurfaceArea	141.06
Druglikeness	1.8231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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