Drug Information

Drug ID:  NPD9374
Drug Name:  Acyclovir
Molecular Formula:  C8H11N5O3
Canonical SMILES:  OCCOCn1cnc2c1[nH]c(=N)nc2O
Standard InCHI:  InChI=1S/C8H11N5O3/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)
Standard InCHIKey:  MKUXAQIIEYXACX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9374

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 0.9633 NPC327579
High Similarity 0.8537 NPC262926
Intermediate Similarity 0.8468 NPC61198
Intermediate Similarity 0.8349 NPC59314
Intermediate Similarity 0.8226 NPC324009
Intermediate Similarity 0.8198 NPC119133
Intermediate Similarity 0.8174 NPC313547
Intermediate Similarity 0.816 NPC319221
Intermediate Similarity 0.814 NPC186619
Intermediate Similarity 0.8087 NPC41958
Intermediate Similarity 0.8073 NPC293163
Intermediate Similarity 0.8015 NPC318590
Intermediate Similarity 0.8015 NPC251233
Intermediate Similarity 0.8015 NPC211820
Intermediate Similarity 0.7955 NPC177169
Intermediate Similarity 0.7955 NPC317746
Intermediate Similarity 0.7955 NPC274384
Intermediate Similarity 0.7955 NPC89147
Intermediate Similarity 0.7895 NPC232408
Intermediate Similarity 0.7895 NPC64705
Intermediate Similarity 0.7857 NPC10466
Intermediate Similarity 0.7752 NPC320818
Intermediate Similarity 0.7727 NPC320256
Intermediate Similarity 0.7634 NPC30326
Intermediate Similarity 0.75 NPC63433
Intermediate Similarity 0.7407 NPC315642
Intermediate Similarity 0.7407 NPC74306
Intermediate Similarity 0.7143 NPC14590
Intermediate Similarity 0.7132 NPC317821
Intermediate Similarity 0.7059 NPC129756
Remote Similarity 0.6985 NPC33996
Remote Similarity 0.696 NPC240084
Remote Similarity 0.6929 NPC156461
Remote Similarity 0.6929 NPC107374
Remote Similarity 0.6929 NPC21448
Remote Similarity 0.6923 NPC150853
Remote Similarity 0.6906 NPC229974
Remote Similarity 0.6884 NPC161659
Remote Similarity 0.6884 NPC209525
Remote Similarity 0.6879 NPC189068
Remote Similarity 0.6879 NPC164665
Remote Similarity 0.6864 NPC476561
Remote Similarity 0.6842 NPC51000
Remote Similarity 0.6831 NPC309832
Remote Similarity 0.6831 NPC269827
Remote Similarity 0.6831 NPC219313
Remote Similarity 0.6786 NPC314152
Remote Similarity 0.6736 NPC136349
Remote Similarity 0.6718 NPC248007
Remote Similarity 0.6716 NPC287876
Remote Similarity 0.6712 NPC321052
Remote Similarity 0.6689 NPC52238
Remote Similarity 0.6644 NPC54320
Remote Similarity 0.6644 NPC85689
Remote Similarity 0.6644 NPC313754
Remote Similarity 0.6644 NPC211025
Remote Similarity 0.6644 NPC311197
Remote Similarity 0.6644 NPC185991
Remote Similarity 0.6642 NPC14330
Remote Similarity 0.6641 NPC109322
Remote Similarity 0.6618 NPC57279
Remote Similarity 0.6613 NPC47936
Remote Similarity 0.6612 NPC476099
Remote Similarity 0.6599 NPC321814
Remote Similarity 0.6599 NPC328479
Remote Similarity 0.6599 NPC472816
Remote Similarity 0.6562 NPC278549
Remote Similarity 0.6554 NPC130586
Remote Similarity 0.6554 NPC212551
Remote Similarity 0.6554 NPC164952
Remote Similarity 0.6554 NPC302778
Remote Similarity 0.6552 NPC121222
Remote Similarity 0.6533 NPC239737
Remote Similarity 0.651 NPC174802
Remote Similarity 0.6493 NPC144223
Remote Similarity 0.649 NPC195140
Remote Similarity 0.6489 NPC139776
Remote Similarity 0.6475 NPC476562
Remote Similarity 0.6467 NPC224076
Remote Similarity 0.6463 NPC326694
Remote Similarity 0.6457 NPC327613
Remote Similarity 0.6424 NPC226245
Remote Similarity 0.6424 NPC316618
Remote Similarity 0.6419 NPC161224
Remote Similarity 0.6376 NPC207633
Remote Similarity 0.635 NPC246193
Remote Similarity 0.6349 NPC312187
Remote Similarity 0.6349 NPC4837
Remote Similarity 0.6346 NPC261595
Remote Similarity 0.6341 NPC476564
Remote Similarity 0.632 NPC75131
Remote Similarity 0.6311 NPC273327
Remote Similarity 0.6306 NPC321458
Remote Similarity 0.6306 NPC324033
Remote Similarity 0.623 NPC174114
Remote Similarity 0.623 NPC87981
Remote Similarity 0.6222 NPC180493
Remote Similarity 0.6218 NPC323091
Remote Similarity 0.6207 NPC290449
Remote Similarity 0.6202 NPC199790
Remote Similarity 0.6194 NPC5707
Remote Similarity 0.6178 NPC324484
Remote Similarity 0.6139 NPC325906
Remote Similarity 0.6124 NPC256849
Remote Similarity 0.6115 NPC104011
Remote Similarity 0.6104 NPC93365
Remote Similarity 0.6096 NPC8590
Remote Similarity 0.609 NPC252603
Remote Similarity 0.608 NPC18335
Remote Similarity 0.6062 NPC290959
Remote Similarity 0.6031 NPC148385
Remote Similarity 0.6014 NPC180462
Remote Similarity 0.6 NPC303899
Remote Similarity 0.5976 NPC189261
Remote Similarity 0.595 NPC9639
Remote Similarity 0.5915 NPC313897
Remote Similarity 0.5915 NPC326529
Remote Similarity 0.5896 NPC158847
Remote Similarity 0.5879 NPC324198
Remote Similarity 0.5879 NPC319100
Remote Similarity 0.5864 NPC326082
Remote Similarity 0.584 NPC326248
Remote Similarity 0.584 NPC187191
Remote Similarity 0.5781 NPC155498
Remote Similarity 0.5756 NPC313514
Remote Similarity 0.5755 NPC15566
Remote Similarity 0.5753 NPC470141
Remote Similarity 0.5748 NPC111132
Remote Similarity 0.5704 NPC68938
Remote Similarity 0.5695 NPC174020
Remote Similarity 0.5676 NPC210947
Remote Similarity 0.5664 NPC243319
Remote Similarity 0.5638 NPC185903
Remote Similarity 0.5635 NPC332382
Remote Similarity 0.5625 NPC470138

Drug Structure

External Identifiers

TTD   DAP000816; DIB015033; DNC000157
DrugBank   DB00787
ChEMBL   CHEMBL184
IUPHAR/BPS   4829
PharmaGKB   PA448045
KEGG Drug   D00222
PubChem CID   2022
ChEBI   2453
CAS Number  59277-89-3

Drug Properties

Molecular Weight  225.09
ALogP  -1.2585
MLogP  1.46
XLogP  -1.021
HDA  8
HBD  4
Rotatable Bonds  6
TPSA  115.75
RO5 Violation  0