6-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Formula:C8H11N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.

MolName	6-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione
MolecularFormula	C8H11N3O6S
Smiles	O[C@@H](CO[C@@H]([C@H]1O)SC(C(N2)=O)=NNC2=O)[C@@H]1O
InChI	InChI=1S/C8H11N3O6S/c12-2-1-17-7(4(14)3(2)13)18-6-5(15)9-8(16)11-10-6/h2-4,7,12-14H,1H2,(H2,9,11,15,16)/t2-,3-,4+,7-/m1/s1
InChIK	ZFFWXRUJXNIWHI-AIHDZSDESA-N
TotalMolweight	277.256
Molweight	277.256
MonoisotopicMass	277.036857
CLogP	-2.4801
CLogS	-0.577
H Acceptors	9
H Donors	5
TotalSurfaceArea	178.19
Relative PSA	0.71441
PolarSurfaceArea	165.78
Druglikeness	0.90992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	10
Amides	1
StereoCon	this enantiomer

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1 - 6-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione | 2 - 6-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione

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