(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C16H18N8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is not a drug-like molecule.
| MolName | (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
| MolecularFormula | C16H18N8O4 |
| Smiles | Nc1c2nc(N/N=C\c3cnccc3)n([C@H]([C@H]3O)O[C@@H](CO)[C@@H]3O)c2ncn1 |
| InChI | InChI=1S/C16H18N8O4/c17-13-10-14(20-7-19-13)24(15-12(27)11(26)9(6-25)28-15)16(22-10)23-21-5-8-2-1-3-18-4-8/h1-5,7,9,11-12,15,25-27H,6H2,(H,22,23)(H2,17,19,20)/t9-,11+,12+,15-/m0/s1 |
| InChIK | YAVGDTPEUHQIRH-NFOTXUCKSA-N |
| TotalMolweight | 386.371 |
| Molweight | 386.371 |
| MonoisotopicMass | 386.145102 |
| CLogP | 0.8103 |
| CLogS | -3.334 |
| H Acceptors | 12 |
| H Donors | 5 |
| TotalSurfaceArea | 275.91 |
| Relative PSA | 0.50121 |
| PolarSurfaceArea | 176.82 |
| Druglikeness | 1.3234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | 2 - (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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