[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Formula:C10H14N5O6P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.

MolName	[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
MolecularFormula	C10H14N5O6P
Smiles	Nc1c2ncn([C@@H](C3)O[C@@H](COP(O)(O)=O)[C@@H]3O)c2ncn1
InChI	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m1/s1
InChIK	KHWCHTKSEGGWEX-VQVTYTSYSA-N
TotalMolweight	331.224
Molweight	331.224
MonoisotopicMass	331.068172
CLogP	-4.3017
CLogS	-1.144
H Acceptors	11
H Donors	4
TotalSurfaceArea	216.2
Relative PSA	0.60763
PolarSurfaceArea	175.65
Druglikeness	-18.802
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	3
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	11
Symmetricatoms	1
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon	this enantiomer

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