Drug ID:   | NPD8551 |
Drug Name:   | Dimesna |
Molecular Formula:   | C4H10O6S4 |
Canonical SMILES:   | OS(=O)(=O)CCSSCCS(=O)(=O)O |
Standard InCHI:   | InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10) |
Standard InCHIKey:   | BYUKOOOZTSTOOH-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
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
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Remote Similarity | 0.6538 | NPC326758 |
Remote Similarity | 0.6538 | NPC476548 |
Remote Similarity | 0.6154 | NPC476549 |
Remote Similarity | 0.6071 | NPC476550 |
Remote Similarity | 0.5758 | NPC300059 |
Molecular Weight   | 281.94 |
ALogP   | 0.1446 |
MLogP   | 0.8 |
XLogP   | -0.788 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 9 |
TPSA   | 176.1 |
RO5 Violation   | 0 |