Drug Information

Drug ID:  NPD9373
Drug Name:  Acyclovir Sodium
Molecular Formula:  C8H11N5O3.Na
Canonical SMILES:  [O-]c1nc(=N)[nH]c2c1ncn2COCCO.[Na+]
Standard InCHI:  InChI=1S/C8H11N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);/q;+1/p-1
Standard InCHIKey:  RMLUKZWYIKEASN-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9373

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 0.945 NPC327579
Intermediate Similarity 0.8374 NPC262926
Intermediate Similarity 0.8306 NPC61198
Intermediate Similarity 0.8165 NPC59314
Intermediate Similarity 0.8065 NPC324009
Intermediate Similarity 0.8018 NPC119133
Intermediate Similarity 0.8 NPC313547
Intermediate Similarity 0.8 NPC319221
Intermediate Similarity 0.7984 NPC186619
Intermediate Similarity 0.7913 NPC41958
Intermediate Similarity 0.789 NPC293163
Intermediate Similarity 0.7863 NPC251233
Intermediate Similarity 0.7863 NPC318590
Intermediate Similarity 0.7863 NPC211820
Intermediate Similarity 0.7803 NPC177169
Intermediate Similarity 0.7803 NPC274384
Intermediate Similarity 0.7803 NPC317746
Intermediate Similarity 0.7803 NPC89147
Intermediate Similarity 0.7744 NPC232408
Intermediate Similarity 0.7744 NPC64705
Intermediate Similarity 0.7734 NPC320818
Intermediate Similarity 0.7679 NPC10466
Intermediate Similarity 0.7545 NPC320256
Intermediate Similarity 0.7481 NPC30326
Intermediate Similarity 0.7333 NPC63433
Intermediate Similarity 0.7259 NPC74306
Intermediate Similarity 0.7259 NPC315642
Intermediate Similarity 0.7111 NPC317821
Intermediate Similarity 0.7037 NPC129756
Intermediate Similarity 0.7007 NPC14590
Remote Similarity 0.6983 NPC476561
Remote Similarity 0.6964 NPC51000
Remote Similarity 0.6963 NPC33996
Remote Similarity 0.6906 NPC21448
Remote Similarity 0.6906 NPC107374
Remote Similarity 0.6906 NPC156461
Remote Similarity 0.6884 NPC229974
Remote Similarity 0.6861 NPC209525
Remote Similarity 0.6861 NPC161659
Remote Similarity 0.6857 NPC189068
Remote Similarity 0.6857 NPC164665
Remote Similarity 0.6809 NPC219313
Remote Similarity 0.6809 NPC269827
Remote Similarity 0.6809 NPC309832
Remote Similarity 0.68 NPC240084
Remote Similarity 0.6783 NPC150853
Remote Similarity 0.6763 NPC314152
Remote Similarity 0.6744 NPC109322
Remote Similarity 0.6723 NPC476099
Remote Similarity 0.6721 NPC47936
Remote Similarity 0.6713 NPC136349
Remote Similarity 0.669 NPC321052
Remote Similarity 0.6667 NPC278549
Remote Similarity 0.6621 NPC211025
Remote Similarity 0.6621 NPC185991
Remote Similarity 0.6621 NPC85689
Remote Similarity 0.6583 NPC476562
Remote Similarity 0.6575 NPC472816
Remote Similarity 0.6575 NPC328479
Remote Similarity 0.6575 NPC321814
Remote Similarity 0.6567 NPC287876
Remote Similarity 0.6565 NPC248007
Remote Similarity 0.6554 NPC52238
Remote Similarity 0.6531 NPC302778
Remote Similarity 0.6531 NPC212551
Remote Similarity 0.6531 NPC130586
Remote Similarity 0.6531 NPC164952
Remote Similarity 0.6528 NPC121222
Remote Similarity 0.651 NPC239737
Remote Similarity 0.651 NPC311197
Remote Similarity 0.651 NPC313754
Remote Similarity 0.651 NPC54320
Remote Similarity 0.6493 NPC14330
Remote Similarity 0.6486 NPC174802
Remote Similarity 0.6471 NPC57279
Remote Similarity 0.6467 NPC195140
Remote Similarity 0.6452 NPC312187
Remote Similarity 0.6452 NPC4837
Remote Similarity 0.6446 NPC476564
Remote Similarity 0.6443 NPC224076
Remote Similarity 0.6438 NPC326694
Remote Similarity 0.6429 NPC327613
Remote Similarity 0.6423 NPC75131
Remote Similarity 0.6417 NPC273327
Remote Similarity 0.64 NPC226245
Remote Similarity 0.64 NPC316618
Remote Similarity 0.6395 NPC161224
Remote Similarity 0.6351 NPC207633
Remote Similarity 0.6343 NPC144223
Remote Similarity 0.6336 NPC139776
Remote Similarity 0.6333 NPC87981
Remote Similarity 0.6333 NPC174114
Remote Similarity 0.6324 NPC246193
Remote Similarity 0.6316 NPC180493
Remote Similarity 0.6299 NPC199790
Remote Similarity 0.622 NPC256849
Remote Similarity 0.6218 NPC261595
Remote Similarity 0.6204 NPC104011
Remote Similarity 0.6194 NPC323091
Remote Similarity 0.6183 NPC252603
Remote Similarity 0.6179 NPC18335
Remote Similarity 0.6178 NPC324033
Remote Similarity 0.6178 NPC321458
Remote Similarity 0.6154 NPC324484
Remote Similarity 0.6124 NPC148385
Remote Similarity 0.6115 NPC325906
Remote Similarity 0.6094 NPC303899
Remote Similarity 0.6078 NPC93365
Remote Similarity 0.605 NPC9639
Remote Similarity 0.6045 NPC5707
Remote Similarity 0.6038 NPC290959
Remote Similarity 0.6034 NPC290449
Remote Similarity 0.5985 NPC180462
Remote Similarity 0.5985 NPC158847
Remote Similarity 0.5959 NPC8590
Remote Similarity 0.5951 NPC189261
Remote Similarity 0.5935 NPC326248
Remote Similarity 0.5935 NPC187191
Remote Similarity 0.589 NPC313897
Remote Similarity 0.589 NPC326529
Remote Similarity 0.5873 NPC155498
Remote Similarity 0.5854 NPC324198
Remote Similarity 0.5854 NPC319100
Remote Similarity 0.584 NPC111132
Remote Similarity 0.5839 NPC326082
Remote Similarity 0.5833 NPC470141
Remote Similarity 0.5789 NPC68938
Remote Similarity 0.5726 NPC332382
Remote Similarity 0.5725 NPC15566
Remote Similarity 0.5672 NPC189314
Remote Similarity 0.5667 NPC174020
Remote Similarity 0.5646 NPC210947
Remote Similarity 0.564 NPC313514
Remote Similarity 0.5634 NPC243319
Remote Similarity 0.5608 NPC185903

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  224.08
ALogP  -1.9363
MLogP  1.46
XLogP  -1.021
HDA  8
HBD  3
Rotatable Bonds  6
TPSA  118.58
RO5 Violation  0