(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(quinolin-2-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C20H20N8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(quinolin-2-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-(quinolin-2-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
| MolecularFormula | C20H20N8O4 |
| Smiles | Nc1c2nc(N/N=C\c3nc4ccccc4cc3)n([C@H]([C@H]3O)O[C@@H](CO)[C@@H]3O)c2ncn1 |
| InChI | InChI=1S/C20H20N8O4/c21-17-14-18(23-9-22-17)28(19-16(31)15(30)13(8-29)32-19)20(26-14)27-24-7-11-6-5-10-3-1-2-4-12(10)25-11/h1-7,9,13,15-16,19,29-31H,8H2,(H,26,27)(H2,21,22,23)/t13-,15+,16+,19-/m0/s1 |
| InChIK | AAMFNUBZOVLAEY-PSLQGDIJSA-N |
| TotalMolweight | 436.431 |
| Molweight | 436.431 |
| MonoisotopicMass | 436.160752 |
| CLogP | 2.1812 |
| CLogS | -4.859 |
| H Acceptors | 12 |
| H Donors | 5 |
| TotalSurfaceArea | 310.51 |
| Relative PSA | 0.44536 |
| 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 | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| 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-(quinolin-2-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | 2 - (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-(quinolin-2-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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