Drug Information

Drug ID:  NPD9071
Drug Name:  Eniluracil
Molecular Formula:  C6H4N2O2
Canonical SMILES:  C#Cc1cnc(nc1O)O
Standard InCHI:  InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
Standard InCHIKey:  JOZGNYDSEBIJDH-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9071

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 0.9406 NPC163105
High Similarity 0.9048 NPC329046
High Similarity 0.8922 NPC75844
High Similarity 0.8679 NPC27699
Intermediate Similarity 0.7344 NPC321929
Intermediate Similarity 0.7075 NPC326364
Remote Similarity 0.6897 NPC222061
Remote Similarity 0.6637 NPC476128
Remote Similarity 0.6532 NPC248627
Remote Similarity 0.6512 NPC248007
Remote Similarity 0.6333 NPC321393
Remote Similarity 0.6279 NPC139776
Remote Similarity 0.6269 NPC287876
Remote Similarity 0.6194 NPC14330
Remote Similarity 0.5846 NPC240084
Remote Similarity 0.5775 NPC314646
Remote Similarity 0.5746 NPC5707
Remote Similarity 0.5734 NPC62151
Remote Similarity 0.5725 NPC68938
Remote Similarity 0.5714 NPC57279
Remote Similarity 0.5692 NPC63433
Remote Similarity 0.5625 NPC312187
Remote Similarity 0.5625 NPC4837
Remote Similarity 0.56 NPC476564

Drug Structure

External Identifiers

TTD   DNCL002735
DrugBank   DB03516
ChEMBL   CHEMBL355200
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D03998
PubChem CID   43157
ChEBI  
CAS Number  59989-18-3

Drug Properties

Molecular Weight  136.03
ALogP  -0.1557
MLogP  1.68
XLogP  -0.339
HDA  2
HBD  2
Rotatable Bonds  2
TPSA  66.24
RO5 Violation  0