[(2S,3R,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate

Formula:C10H13N4O7P Mutagenic:high Tumorigenic:none Reproductive Effective:none [(2S,3R,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.

MolName	[(2S,3R,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
MolecularFormula	C10H13N4O7P
Smiles	O[C@@H]([C@H](COP(O)(O)=O)O[C@H]1n2c3ncncc3nc2)[C@H]1O
InChI	InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m0/s1
InChIK	MCWDCZIDTUQRHK-GHCJXIJMSA-N
TotalMolweight	332.208
Molweight	332.208
MonoisotopicMass	332.052188
CLogP	-4.8279
CLogS	-0.144
H Acceptors	11
H Donors	4
TotalSurfaceArea	212.77
Relative PSA	0.60723
PolarSurfaceArea	169.86
Druglikeness	-20.648
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	12
Symmetricatoms	1
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon	this enantiomer

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