Drug Information

Drug ID:  NPD8964
Drug Name:  Fludeoxyglucose (18F)
Molecular Formula:  C6H11FO5
Canonical SMILES:  OC[C@H]([C@H]([C@@H]([C@H](C=O)[18F])O)O)O
Standard InCHI:  InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1/i7-1
Standard InCHIKey:  AOYNUTHNTBLRMT-MXWOLSILSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8964

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 0.8298 NPC270088
Intermediate Similarity 0.7885 NPC277878
Intermediate Similarity 0.78 NPC247546
Intermediate Similarity 0.78 NPC172086
Intermediate Similarity 0.7736 NPC196612
Intermediate Similarity 0.7193 NPC220922
Intermediate Similarity 0.7193 NPC293692
Intermediate Similarity 0.7143 NPC259982
Intermediate Similarity 0.7143 NPC228782
Intermediate Similarity 0.7143 NPC313565
Remote Similarity 0.6949 NPC323945
Remote Similarity 0.6833 NPC320296
Remote Similarity 0.6735 NPC320331
Remote Similarity 0.6724 NPC3547
Remote Similarity 0.6667 NPC46254
Remote Similarity 0.6613 NPC258690
Remote Similarity 0.6613 NPC317651
Remote Similarity 0.66 NPC35661
Remote Similarity 0.6538 NPC242655
Remote Similarity 0.6538 NPC38891
Remote Similarity 0.6491 NPC323401
Remote Similarity 0.6491 NPC19676
Remote Similarity 0.6383 NPC66052
Remote Similarity 0.6383 NPC293908
Remote Similarity 0.6383 NPC192065
Remote Similarity 0.6383 NPC325034
Remote Similarity 0.6383 NPC86412
Remote Similarity 0.6379 NPC6883
Remote Similarity 0.6275 NPC192402
Remote Similarity 0.6275 NPC19044
Remote Similarity 0.6275 NPC100742
Remote Similarity 0.6275 NPC24751
Remote Similarity 0.6275 NPC97444
Remote Similarity 0.6275 NPC121018
Remote Similarity 0.6212 NPC32148
Remote Similarity 0.6182 NPC200618
Remote Similarity 0.6182 NPC131770
Remote Similarity 0.6087 NPC127074
Remote Similarity 0.6087 NPC197207
Remote Similarity 0.6087 NPC182541
Remote Similarity 0.6087 NPC149070
Remote Similarity 0.6087 NPC187058
Remote Similarity 0.6042 NPC317203
Remote Similarity 0.6038 NPC76051
Remote Similarity 0.5965 NPC90904
Remote Similarity 0.5938 NPC10659
Remote Similarity 0.5873 NPC17935
Remote Similarity 0.5862 NPC100096
Remote Similarity 0.5833 NPC320588
Remote Similarity 0.5833 NPC23155
Remote Similarity 0.5833 NPC53463
Remote Similarity 0.5833 NPC469937
Remote Similarity 0.5789 NPC293378
Remote Similarity 0.5789 NPC328954
Remote Similarity 0.5778 NPC301586
Remote Similarity 0.5778 NPC33415
Remote Similarity 0.5769 NPC111882
Remote Similarity 0.5769 NPC88278
Remote Similarity 0.5769 NPC227707
Remote Similarity 0.5769 NPC266553
Remote Similarity 0.5769 NPC99573
Remote Similarity 0.5769 NPC102981
Remote Similarity 0.5745 NPC261351
Remote Similarity 0.5735 NPC469925
Remote Similarity 0.5735 NPC57788
Remote Similarity 0.5735 NPC53879
Remote Similarity 0.5714 NPC322855
Remote Similarity 0.5714 NPC191084
Remote Similarity 0.5714 NPC168052
Remote Similarity 0.5714 NPC250870
Remote Similarity 0.5694 NPC125164
Remote Similarity 0.5667 NPC65985
Remote Similarity 0.5645 NPC198377
Remote Similarity 0.5636 NPC469781
Remote Similarity 0.5625 NPC328710
Remote Similarity 0.5625 NPC18224
Remote Similarity 0.5616 NPC473948
Remote Similarity 0.5606 NPC268243

Drug Structure

External Identifiers

TTD  
DrugBank   DB09150
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  182.06
ALogP  -1.8506
MLogP  1.46
XLogP  -2.421
HDA  5
HBD  4
Rotatable Bonds  10
TPSA  97.99
RO5 Violation  0