Drug ID: | NPD319 |
Drug Name: | Limonene |
Molecular Formula: | C10H16 |
Canonical SMILES: | CC1=CC[C@@H](CC1)C(=C)C |
Standard InCHI: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 |
Standard InCHIKey: | XMGQYMWWDOXHJM-JTQLQIEISA-N |
Max Developmental Stage: | Phase 1 |
Max Developmental Stage Source: | ChEMBL |
Similarity 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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7