N-(pyridin-2-ylmethyl)-7H-purine-6-sulfonamide
Formula:C11H10N6O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-(pyridin-2-ylmethyl)-7H-purine-6-sulfonamide is a drug-like molecule.
| MolName | N-(pyridin-2-ylmethyl)-7H-purine-6-sulfonamide |
| MolecularFormula | C11H10N6O2S |
| Smiles | O=S(c1ncnc2c1[nH]cn2)(NCc1ncccc1)=O |
| InChI | InChI=1S/C11H10N6O2S/c18-20(19,17-5-8-3-1-2-4-12-8)11-9-10(14-6-13-9)15-7-16-11/h1-4,6-7,17H,5H2,(H,13,14,15,16) |
| InChIK | YUURXCUDXYJZDE-UHFFFAOYSA-N |
| TotalMolweight | 290.306 |
| Molweight | 290.306 |
| MonoisotopicMass | 290.058594 |
| CLogP | -0.3271 |
| CLogS | -1.536 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 206.03 |
| Relative PSA | 0.47522 |
| PolarSurfaceArea | 121.9 |
| Druglikeness | -1.1394 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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