2-amino-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione

Formula:C10H13N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione is a drug-like molecule.

MolName	2-amino-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
MolecularFormula	C10H13N5O3S
Smiles	NC(Nc1c2ncn1[C@@H](C1)O[C@@H](CO)[C@@H]1O)=NC2=S
InChI	InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)/t4-,5+,6+/m0/s1
InChIK	SCVJRXQHFJXZFZ-KVQBGUIXSA-N
TotalMolweight	283.311
Molweight	283.311
MonoisotopicMass	283.07391
CLogP	-1.6243
CLogS	-2.392
H Acceptors	8
H Donors	4
TotalSurfaceArea	197.6
Relative PSA	0.6087
PolarSurfaceArea	150.01
Druglikeness	1.86
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	9
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	this enantiomer

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1 - 2-amino-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione | 2 - 2-amino-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione

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