6-[(Z)-3-phenylprop-2-enyl]sulfanyl-7H-purin-2-amine
Formula:C14H13N5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
6-[(Z)-3-phenylprop-2-enyl]sulfanyl-7H-purin-2-amine is a drug-like molecule.
| MolName | 6-[(Z)-3-phenylprop-2-enyl]sulfanyl-7H-purin-2-amine |
| MolecularFormula | C14H13N5S |
| Smiles | Nc(nc1SC/C=C\c2ccccc2)nc2c1[nH]cn2 |
| InChI | InChI=1S/C14H13N5S/c15-14-18-12-11(16-9-17-12)13(19-14)20-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H3,15,16,17,18,19) |
| InChIK | UYLRIWLPRPMLQC-UHFFFAOYSA-N |
| TotalMolweight | 283.358 |
| Molweight | 283.358 |
| MonoisotopicMass | 283.089165 |
| CLogP | 2.5157 |
| CLogS | -4.398 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 219.74 |
| Relative PSA | 0.36252 |
| PolarSurfaceArea | 105.78 |
| Druglikeness | 0.68125 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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