Drug Information

Drug ID:  NPD280
Drug Name:  Telbivudine
Molecular Formula:  C10H14N2O5
Canonical SMILES:  OC[C@@H]1O[C@@H](C[C@H]1O)n1cc(C)c(nc1=O)O
Standard InCHI:  InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
Standard InCHIKey:  IQFYYKKMVGJFEH-CSMHCCOUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD280

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 NPC112842
High Similarity 1.0 NPC71339
High Similarity 0.9625 NPC210456
High Similarity 0.9625 NPC163352
High Similarity 0.939 NPC171116
High Similarity 0.9167 NPC327344
High Similarity 0.8953 NPC318166
High Similarity 0.8953 NPC324516
High Similarity 0.8889 NPC106780
High Similarity 0.8571 NPC89051
High Similarity 0.8571 NPC43246
Intermediate Similarity 0.8272 NPC325902
Intermediate Similarity 0.8182 NPC324390
Intermediate Similarity 0.809 NPC320249
Intermediate Similarity 0.809 NPC322594
Intermediate Similarity 0.7927 NPC329077
Intermediate Similarity 0.7912 NPC17892
Intermediate Similarity 0.7912 NPC36985
Intermediate Similarity 0.7865 NPC315063
Intermediate Similarity 0.7826 NPC283698
Intermediate Similarity 0.7826 NPC73765
Intermediate Similarity 0.7826 NPC317639
Intermediate Similarity 0.7753 NPC328806
Intermediate Similarity 0.7614 NPC325723
Intermediate Similarity 0.7471 NPC319753
Intermediate Similarity 0.7111 NPC229249
Intermediate Similarity 0.7059 NPC329277
Remote Similarity 0.6923 NPC155087
Remote Similarity 0.6923 NPC149843
Remote Similarity 0.6882 NPC190334
Remote Similarity 0.6882 NPC62927
Remote Similarity 0.6822 NPC478024
Remote Similarity 0.6552 NPC315806
Remote Similarity 0.6465 NPC329384
Remote Similarity 0.64 NPC226769
Remote Similarity 0.64 NPC280946
Remote Similarity 0.64 NPC6166
Remote Similarity 0.6379 NPC325750
Remote Similarity 0.6337 NPC90240
Remote Similarity 0.6337 NPC120887
Remote Similarity 0.6311 NPC328914
Remote Similarity 0.6275 NPC328779
Remote Similarity 0.6271 NPC315058
Remote Similarity 0.6224 NPC109188
Remote Similarity 0.6116 NPC313962
Remote Similarity 0.605 NPC284651
Remote Similarity 0.6022 NPC316123
Remote Similarity 0.5824 NPC126186
Remote Similarity 0.5732 NPC293551
Remote Similarity 0.5699 NPC470782

Drug Structure

External Identifiers

TTD   DAP000698
DrugBank   DB01265
ChEMBL   CHEMBL374731
IUPHAR/BPS  
PharmaGKB   PA164760861
KEGG Drug  
PubChem CID   159269
ChEBI   63624
CAS Number  3424-98-4

Drug Properties

Molecular Weight  242.09
ALogP  -1.7707
MLogP  1.79
XLogP  -1
HDA  7
HBD  3
Rotatable Bonds  6
TPSA  102.59
RO5 Violation  0