Drug Information

Drug ID:  NPD219
Drug Name:  Inosine
Molecular Formula:  C10H12N4O5
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O
Standard InCHI:  InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Standard InCHIKey:  UGQMRVRMYYASKQ-KQYNXXCUSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD219

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 NPC311197
High Similarity 1.0 NPC313754
High Similarity 1.0 NPC54320
High Similarity 0.993 NPC52238
High Similarity 0.9533 NPC261595
High Similarity 0.947 NPC321458
High Similarity 0.947 NPC324033
High Similarity 0.9034 NPC164665
High Similarity 0.8966 NPC107374
High Similarity 0.8966 NPC21448
High Similarity 0.8966 NPC156461
High Similarity 0.8904 NPC189068
High Similarity 0.8844 NPC219313
High Similarity 0.8844 NPC269827
High Similarity 0.8844 NPC309832
High Similarity 0.8828 NPC229974
High Similarity 0.869 NPC161659
High Similarity 0.869 NPC209525
High Similarity 0.8609 NPC85689
High Similarity 0.8609 NPC211025
High Similarity 0.8609 NPC185991
High Similarity 0.8571 NPC314152
High Similarity 0.8562 NPC317821
High Similarity 0.8553 NPC472816
High Similarity 0.8553 NPC207633
High Similarity 0.8553 NPC321814
Intermediate Similarity 0.8497 NPC212551
Intermediate Similarity 0.8497 NPC130586
Intermediate Similarity 0.8497 NPC164952
Intermediate Similarity 0.8497 NPC302778
Intermediate Similarity 0.8442 NPC174802
Intermediate Similarity 0.8421 NPC150853
Intermediate Similarity 0.8411 NPC121222
Intermediate Similarity 0.8387 NPC224076
Intermediate Similarity 0.8333 NPC239737
Intermediate Similarity 0.8333 NPC316618
Intermediate Similarity 0.8333 NPC226245
Intermediate Similarity 0.8247 NPC161224
Intermediate Similarity 0.8243 NPC129756
Intermediate Similarity 0.8117 NPC136349
Intermediate Similarity 0.8075 NPC323091
Intermediate Similarity 0.7962 NPC328479
Intermediate Similarity 0.7933 NPC33996
Intermediate Similarity 0.7919 NPC320818
Intermediate Similarity 0.7919 NPC61198
Intermediate Similarity 0.7852 NPC262926
Intermediate Similarity 0.7847 NPC248007
Intermediate Similarity 0.7785 NPC319221
Intermediate Similarity 0.7751 NPC189261
Intermediate Similarity 0.773 NPC321393
Intermediate Similarity 0.7718 NPC324009
Intermediate Similarity 0.7716 NPC195140
Intermediate Similarity 0.7697 NPC30326
Intermediate Similarity 0.7692 NPC326529
Intermediate Similarity 0.7654 NPC93365
Intermediate Similarity 0.7647 NPC319100
Intermediate Similarity 0.7647 NPC324198
Intermediate Similarity 0.7639 NPC139776
Intermediate Similarity 0.7628 NPC89147
Intermediate Similarity 0.7628 NPC274384
Intermediate Similarity 0.759 NPC324484
Intermediate Similarity 0.7564 NPC251233
Intermediate Similarity 0.7564 NPC211820
Intermediate Similarity 0.756 NPC326082
Intermediate Similarity 0.756 NPC290959
Intermediate Similarity 0.7548 NPC186619
Intermediate Similarity 0.7545 NPC325906
Intermediate Similarity 0.7516 NPC177169
Intermediate Similarity 0.7468 NPC232408
Intermediate Similarity 0.7468 NPC64705
Intermediate Similarity 0.7452 NPC318590
Intermediate Similarity 0.7405 NPC317746
Intermediate Similarity 0.7389 NPC74306
Intermediate Similarity 0.7389 NPC315642
Intermediate Similarity 0.7351 NPC287876
Intermediate Similarity 0.7301 NPC321052
Intermediate Similarity 0.7285 NPC14330
Intermediate Similarity 0.7283 NPC313897
Intermediate Similarity 0.7095 NPC24589
Intermediate Similarity 0.7072 NPC313514
Intermediate Similarity 0.7072 NPC282458
Intermediate Similarity 0.7072 NPC78941
Intermediate Similarity 0.7059 NPC14590
Intermediate Similarity 0.7011 NPC222174
Remote Similarity 0.697 NPC326694
Remote Similarity 0.6949 NPC164845
Remote Similarity 0.6913 NPC327579
Remote Similarity 0.6887 NPC5707
Remote Similarity 0.685 NPC250178
Remote Similarity 0.6839 NPC33382
Remote Similarity 0.68 NPC168702
Remote Similarity 0.68 NPC125659
Remote Similarity 0.6736 NPC157821
Remote Similarity 0.6719 NPC276373
Remote Similarity 0.6684 NPC5802
Remote Similarity 0.65 NPC57279
Remote Similarity 0.6375 NPC104011
Remote Similarity 0.6375 NPC246193
Remote Similarity 0.637 NPC476564
Remote Similarity 0.6368 NPC160666
Remote Similarity 0.6313 NPC103388
Remote Similarity 0.6303 NPC107160
Remote Similarity 0.6291 NPC21461
Remote Similarity 0.6164 NPC174114
Remote Similarity 0.6164 NPC87981
Remote Similarity 0.6159 NPC312187
Remote Similarity 0.6159 NPC4837
Remote Similarity 0.5982 NPC158055
Remote Similarity 0.5935 NPC313547
Remote Similarity 0.5901 NPC109322
Remote Similarity 0.5894 NPC119133
Remote Similarity 0.5866 NPC472834
Remote Similarity 0.5844 NPC329046
Remote Similarity 0.5828 NPC18335
Remote Similarity 0.5762 NPC10466
Remote Similarity 0.5714 NPC89139
Remote Similarity 0.5671 NPC180493
Remote Similarity 0.5625 NPC68938
Remote Similarity 0.5625 NPC240084

Drug Structure

External Identifiers

TTD   DNAP001585
DrugBank   DB04335
ChEMBL   CHEMBL1556
IUPHAR/BPS  
PharmaGKB   PA130230922
KEGG Drug   D00054
PubChem CID   37510
ChEBI   17596
CAS Number  58-63-9

Drug Properties

Molecular Weight  268.08
ALogP  -1.9895
MLogP  1.57
XLogP  -1.742
HDA  8
HBD  4
Rotatable Bonds  6
TPSA  133.75
RO5 Violation  0