Drug Information| Drug ID: | NPD586 |
| Drug Name: | LMV-601 |
| Molecular Formula: | C11H16OS2 |
| Canonical SMILES: | [S-]C(=S)O[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]2CCC1 |
| Standard InCHI: | InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1/t6-,7-,8-,9-,10+/m1/s1 |
| Standard InCHIKey: | PWLXJBSAUKKGCM-IGORNWKESA-M |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD586Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DIB015187 |
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| CAS Number |
| Molecular Weight | 227.06 |
| ALogP | 0.5928 |
| MLogP | 2.34 |
| XLogP | 3.046 |
| HDA | 1 |
| HBD | 0 |
| Rotatable Bonds | 3 |
| TPSA | 41.32 |
| RO5 Violation | 0 |