Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD9200

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.


  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
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

Drug Structure

External Identifiers

TTD   DAP000526
DrugBank   DB00593
ChEMBL   CHEMBL696
IUPHAR/BPS   7182
PharmaGKB   PA449533
KEGG Drug   D00539
PubChem CID   3291
ChEBI   4887
CAS Number  77-67-8

Drug Properties

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