Drug Information

Drug ID:  NPD3695
Drug Name:  Tenofovir Disoproxil Fumarate
Molecular Formula:  C19H30N5O10P.C4H4O4
Canonical SMILES:  C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.OC(=O)/C=C/C(=O)O
Standard InCHI:  InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1
Standard InCHIKey:  VCMJCVGFSROFHV-WZGZYPNHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3695

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
Intermediate Similarity 0.7806 NPC323091
Intermediate Similarity 0.7697 NPC174802
Intermediate Similarity 0.7632 NPC164952
Intermediate Similarity 0.7632 NPC130586
Intermediate Similarity 0.7616 NPC85689
Intermediate Similarity 0.7616 NPC185991
Intermediate Similarity 0.7616 NPC161224
Intermediate Similarity 0.7616 NPC211025
Intermediate Similarity 0.7597 NPC226245
Intermediate Similarity 0.7566 NPC321814
Intermediate Similarity 0.7533 NPC121222
Intermediate Similarity 0.7516 NPC302778
Intermediate Similarity 0.7516 NPC212551
Intermediate Similarity 0.7484 NPC316618
Intermediate Similarity 0.7419 NPC224076
Intermediate Similarity 0.7415 NPC317821
Intermediate Similarity 0.7351 NPC309832
Intermediate Similarity 0.7347 NPC129756
Intermediate Similarity 0.7285 NPC189068
Intermediate Similarity 0.7266 NPC87981
Intermediate Similarity 0.7266 NPC174114
Intermediate Similarity 0.7237 NPC219313
Intermediate Similarity 0.7219 NPC156461
Intermediate Similarity 0.7219 NPC107374
Intermediate Similarity 0.7219 NPC21448
Intermediate Similarity 0.72 NPC229974
Intermediate Similarity 0.7171 NPC164665
Intermediate Similarity 0.7169 NPC189261
Intermediate Similarity 0.7162 NPC33996
Intermediate Similarity 0.7124 NPC269827
Intermediate Similarity 0.7108 NPC326529
Intermediate Similarity 0.7099 NPC476564
Intermediate Similarity 0.7073 NPC326082
Intermediate Similarity 0.7067 NPC161659
Intermediate Similarity 0.7067 NPC209525
Intermediate Similarity 0.7066 NPC319100
Intermediate Similarity 0.7066 NPC324198
Intermediate Similarity 0.7034 NPC104011
Intermediate Similarity 0.7034 NPC246193
Intermediate Similarity 0.7032 NPC136349
Remote Similarity 0.6974 NPC314152
Remote Similarity 0.6951 NPC325906
Remote Similarity 0.6951 NPC261595
Remote Similarity 0.6937 NPC239737
Remote Similarity 0.6919 NPC24589
Remote Similarity 0.6909 NPC321458
Remote Similarity 0.6909 NPC324033
Remote Similarity 0.6899 NPC328479
Remote Similarity 0.6899 NPC472816
Remote Similarity 0.6894 NPC195140
Remote Similarity 0.689 NPC324484
Remote Similarity 0.6879 NPC150853
Remote Similarity 0.6824 NPC57279
Remote Similarity 0.68 NPC282458
Remote Similarity 0.68 NPC78941
Remote Similarity 0.6766 NPC290959
Remote Similarity 0.6716 NPC18335
Remote Similarity 0.6715 NPC312187
Remote Similarity 0.6715 NPC4837
Remote Similarity 0.669 NPC248007
Remote Similarity 0.6687 NPC207633
Remote Similarity 0.6564 NPC52238
Remote Similarity 0.6524 NPC313754
Remote Similarity 0.6524 NPC93365
Remote Similarity 0.6524 NPC311197
Remote Similarity 0.6524 NPC54320
Remote Similarity 0.6483 NPC139776
Remote Similarity 0.6463 NPC180493
Remote Similarity 0.6452 NPC296437
Remote Similarity 0.6434 NPC68938
Remote Similarity 0.6416 NPC313897
Remote Similarity 0.641 NPC470266
Remote Similarity 0.6395 NPC109322
Remote Similarity 0.6387 NPC30326
Remote Similarity 0.6364 NPC320818
Remote Similarity 0.6364 NPC472833
Remote Similarity 0.6358 NPC287876
Remote Similarity 0.6352 NPC317746
Remote Similarity 0.633 NPC5802
Remote Similarity 0.6329 NPC476433
Remote Similarity 0.6329 NPC476528
Remote Similarity 0.6312 NPC64705
Remote Similarity 0.6312 NPC232408
Remote Similarity 0.6303 NPC472834
Remote Similarity 0.6296 NPC157821
Remote Similarity 0.6291 NPC14330
Remote Similarity 0.6289 NPC476520
Remote Similarity 0.6289 NPC476522
Remote Similarity 0.6289 NPC217656
Remote Similarity 0.6289 NPC318590
Remote Similarity 0.6289 NPC474986
Remote Similarity 0.6289 NPC211820
Remote Similarity 0.6289 NPC251233
Remote Similarity 0.6289 NPC476013
Remote Similarity 0.6277 NPC276373
Remote Similarity 0.6273 NPC476408
Remote Similarity 0.6266 NPC186619
Remote Similarity 0.6258 NPC326694
Remote Similarity 0.625 NPC274384
Remote Similarity 0.625 NPC177169
Remote Similarity 0.625 NPC89147
Remote Similarity 0.625 NPC476521
Remote Similarity 0.625 NPC472832
Remote Similarity 0.625 NPC18308
Remote Similarity 0.6233 NPC327579
Remote Similarity 0.6232 NPC476099
Remote Similarity 0.6207 NPC189314
Remote Similarity 0.6204 NPC476561
Remote Similarity 0.618 NPC473585
Remote Similarity 0.6149 NPC89139
Remote Similarity 0.6135 NPC244700
Remote Similarity 0.6082 NPC14590
Remote Similarity 0.6066 NPC313514
Remote Similarity 0.6044 NPC265111
Remote Similarity 0.6042 NPC256849
Remote Similarity 0.5988 NPC321052
Remote Similarity 0.5922 NPC164845
Remote Similarity 0.5894 NPC5707
Remote Similarity 0.5887 NPC476562
Remote Similarity 0.5886 NPC262926
Remote Similarity 0.5849 NPC61198
Remote Similarity 0.5845 NPC119133
Remote Similarity 0.58 NPC252603
Remote Similarity 0.5793 NPC47936
Remote Similarity 0.5782 NPC313547
Remote Similarity 0.5743 NPC148385
Remote Similarity 0.5714 NPC303899
Remote Similarity 0.5706 NPC226184
Remote Similarity 0.5706 NPC167285
Remote Similarity 0.5706 NPC76544
Remote Similarity 0.566 NPC324009
Remote Similarity 0.5636 NPC74306
Remote Similarity 0.5636 NPC315642
Remote Similarity 0.5625 NPC319221
Remote Similarity 0.5608 NPC41958

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  519.17
ALogP  -0.0524
MLogP  1.79
XLogP  1.442
HDA  15
HBD  1
Rotatable Bonds  23
TPSA  195.25
RO5 Violation  2