Drug Information

Drug ID:  NPD9370
Drug Name:  Lamivudine
Molecular Formula:  C8H11N3O3S
Canonical SMILES:  Oc1nc(=N)ccn1[C@@H]1CS[C@@H](O1)CO
Standard InCHI:  InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
Standard InCHIKey:  JTEGQNOMFQHVDC-NKWVEPMBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9370

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 NPC469972
Intermediate Similarity 0.7176 NPC229249
Remote Similarity 0.6932 NPC190334
Remote Similarity 0.6932 NPC62927
Remote Similarity 0.6489 NPC329384
Remote Similarity 0.6421 NPC226769
Remote Similarity 0.6421 NPC280946
Remote Similarity 0.6421 NPC6166
Remote Similarity 0.6354 NPC90240
Remote Similarity 0.6354 NPC120887
Remote Similarity 0.6289 NPC328779
Remote Similarity 0.6162 NPC328914
Remote Similarity 0.6129 NPC328806
Remote Similarity 0.6111 NPC212436
Remote Similarity 0.5729 NPC315063

Drug Structure

External Identifiers

TTD   DAP000167; DNCL002995; DNCL002988; DNCL002996
DrugBank   DB00709
ChEMBL   CHEMBL141
IUPHAR/BPS  
PharmaGKB   PA450163
KEGG Drug   D00353
PubChem CID   60825
ChEBI   63577
CAS Number  134678-17-4

Drug Properties

Molecular Weight  229.05
ALogP  -0.5821
MLogP  1.57
XLogP  0.493
HDA  6
HBD  3
Rotatable Bonds  4
TPSA  114.44
RO5 Violation  0