4-amino-1-[(3S,5S,6S)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one
Formula:C10H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-1-[(3S,5S,6S)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one is a drug-like molecule.
| MolName | 4-amino-1-[(3S,5S,6S)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one |
| MolecularFormula | C10H15N3O4 |
| Smiles | NC(C=CN1[C@@H](C2)CO[C@@H](CO)[C@H]2O)=NC1=O |
| InChI | InChI=1S/C10H15N3O4/c11-9-1-2-13(10(16)12-9)6-3-7(15)8(4-14)17-5-6/h1-2,6-8,14-15H,3-5H2,(H2,11,12,16)/t6-,7+,8+/m0/s1 |
| InChIK | NDVIZLWDQQFOBJ-XLPZGREQSA-N |
| TotalMolweight | 241.246 |
| Molweight | 241.246 |
| MonoisotopicMass | 241.106257 |
| CLogP | -2.3421 |
| CLogS | -1.187 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 174.02 |
| Relative PSA | 0.45725 |
| PolarSurfaceArea | 108.38 |
| Druglikeness | -1.7778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 9 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 4-amino-1-[(3S,5S,6S)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one | 2 - 4-amino-1-[(3S,5S,6S)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrimidin-2-one
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