Drug ID:   | NPD9200 |
Drug Name:   | Ethosuximide |
Molecular Formula:   | C7H11NO2 |
Canonical SMILES:   | CC1(CC)CC(=NC1=O)O |
Standard InCHI:   | InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10) |
Standard InCHIKey:   | HAPOVYFOVVWLRS-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 |
---|---|---|
High Similarity | 1.0 | NPC21142 |
Intermediate Similarity | 0.8 | NPC33721 |
Remote Similarity | 0.6429 | NPC471131 |
Remote Similarity | 0.614 | NPC19576 |
Remote Similarity | 0.614 | NPC29950 |
Remote Similarity | 0.5965 | NPC327239 |
Remote Similarity | 0.5957 | NPC145895 |
Remote Similarity | 0.5862 | NPC322946 |
Remote Similarity | 0.5714 | NPC316826 |
Remote Similarity | 0.5714 | NPC317143 |
Remote Similarity | 0.5692 | NPC105297 |
Remote Similarity | 0.5645 | NPC318260 |
Remote Similarity | 0.5625 | NPC327170 |
Remote Similarity | 0.5625 | NPC329564 |
Molecular Weight   | 141.08 |
ALogP   | -0.2374 |
MLogP   | 1.9 |
XLogP   | 0.751 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 49.66 |
RO5 Violation   | 0 |