Drug Information| Drug ID: | NPD9657 |
| Drug Name: | SDZ-210-086 |
| Molecular Formula: | C9H17NO2 |
| Canonical SMILES: | CN1CCC2(CC1)CO[C@@H](O2)C |
| Standard InCHI: | InChI=1S/C9H17NO2/c1-8-11-7-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3/t8-/m0/s1 |
| Standard InCHIKey: | VHBBMEXIWWKUNY-QMMMGPOBSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9657Similarity 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
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6212 | NPC319991 |
| Remote Similarity | 0.6026 | NPC150557 |
| Remote Similarity | 0.5875 | NPC471420 |
| Remote Similarity | 0.5672 | NPC293551 |
| Remote Similarity | 0.5625 | NPC98750 |
| TTD | DIB008502 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 171.13 |
| ALogP | -0.5455 |
| MLogP | 2.12 |
| XLogP | 0.607 |
| HDA | 3 |
| HBD | 0 |
| Rotatable Bonds | 2 |
| TPSA | 21.7 |
| RO5 Violation | 0 |