(4R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C10H13N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is a drug-like molecule.
| MolName | (4R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| MolecularFormula | C10H13N5O4 |
| Smiles | Nc1c2ncn(C(C3O)OC(CO)[C@@H]3O)c2ncn1 |
| InChI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4?,6-,7?,10?/m1/s1 |
| InChIK | OIRDTQYFTABQOQ-LLIYOGGQSA-N |
| TotalMolweight | 267.244 |
| Molweight | 267.244 |
| MonoisotopicMass | 267.096755 |
| CLogP | -1.7396 |
| CLogS | -2.325 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 181.17 |
| Relative PSA | 0.57598 |
| PolarSurfaceArea | 139.54 |
| Druglikeness | -0.90819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 9 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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