Drug Information

Drug ID:  NPD286
Drug Name:  Paraoxon
Molecular Formula:  C10H14NO6P
Canonical SMILES:  CCOP(=O)(Oc1ccc(cc1)N(=O)=O)OCC
Standard InCHI:  InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
Standard InCHIKey:  WYMSBXTXOHUIGT-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD286

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 NPC329190
High Similarity 0.972 NPC322735
High Similarity 0.9439 NPC329358
Intermediate Similarity 0.8468 NPC44836
Intermediate Similarity 0.7787 NPC321869
Intermediate Similarity 0.7672 NPC76327
Intermediate Similarity 0.7456 NPC70201
Intermediate Similarity 0.7438 NPC264782
Intermediate Similarity 0.7107 NPC255721
Intermediate Similarity 0.7049 NPC9336
Remote Similarity 0.6934 NPC317872
Remote Similarity 0.6911 NPC226914
Remote Similarity 0.6905 NPC222982
Remote Similarity 0.6891 NPC311660
Remote Similarity 0.6833 NPC256838
Remote Similarity 0.6636 NPC322285
Remote Similarity 0.64 NPC40209
Remote Similarity 0.6357 NPC313466
Remote Similarity 0.6324 NPC315632
Remote Similarity 0.6268 NPC91615
Remote Similarity 0.619 NPC476462
Remote Similarity 0.6181 NPC159589
Remote Similarity 0.617 NPC314473
Remote Similarity 0.6133 NPC473769
Remote Similarity 0.6122 NPC314113
Remote Similarity 0.6107 NPC260601
Remote Similarity 0.6083 NPC476483
Remote Similarity 0.6075 NPC215445
Remote Similarity 0.6056 NPC473987
Remote Similarity 0.6054 NPC204156
Remote Similarity 0.604 NPC168750
Remote Similarity 0.6018 NPC307456
Remote Similarity 0.6 NPC314278
Remote Similarity 0.6 NPC323798
Remote Similarity 0.5959 NPC122542
Remote Similarity 0.5931 NPC297584
Remote Similarity 0.5913 NPC15839
Remote Similarity 0.5878 NPC469828
Remote Similarity 0.5862 NPC208022
Remote Similarity 0.584 NPC323726
Remote Similarity 0.5839 NPC47986
Remote Similarity 0.5833 NPC280382
Remote Similarity 0.5823 NPC112766
Remote Similarity 0.5812 NPC23837
Remote Similarity 0.5811 NPC166667
Remote Similarity 0.5811 NPC316574
Remote Similarity 0.5811 NPC126637
Remote Similarity 0.5794 NPC29601
Remote Similarity 0.5789 NPC124576
Remote Similarity 0.5769 NPC37584
Remote Similarity 0.5755 NPC326079
Remote Similarity 0.5736 NPC313362
Remote Similarity 0.5732 NPC184161
Remote Similarity 0.5714 NPC19023
Remote Similarity 0.5706 NPC288305
Remote Similarity 0.5705 NPC159722
Remote Similarity 0.5704 NPC325013
Remote Similarity 0.5703 NPC178902
Remote Similarity 0.5688 NPC271732
Remote Similarity 0.5687 NPC70549
Remote Similarity 0.5686 NPC470394
Remote Similarity 0.5686 NPC470404
Remote Similarity 0.5686 NPC282578
Remote Similarity 0.5686 NPC470403
Remote Similarity 0.5676 NPC100980
Remote Similarity 0.5673 NPC471785
Remote Similarity 0.5669 NPC155847
Remote Similarity 0.5669 NPC289381
Remote Similarity 0.5667 NPC206876
Remote Similarity 0.5664 NPC250476
Remote Similarity 0.5658 NPC470090
Remote Similarity 0.5655 NPC290069
Remote Similarity 0.5649 NPC186469
Remote Similarity 0.5644 NPC139506
Remote Similarity 0.5644 NPC292143
Remote Similarity 0.5635 NPC313918
Remote Similarity 0.5625 NPC10875
Remote Similarity 0.5625 NPC10730
Remote Similarity 0.5625 NPC301874
Remote Similarity 0.5621 NPC220560
Remote Similarity 0.562 NPC104216
Remote Similarity 0.5617 NPC306366
Remote Similarity 0.5615 NPC42383
Remote Similarity 0.5614 NPC65517
Remote Similarity 0.5613 NPC470395
Remote Similarity 0.5613 NPC146370
Remote Similarity 0.5606 NPC97811

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  275.06
ALogP  1.2668
MLogP  1.68
XLogP  2.375
HDA  3
HBD  0
Rotatable Bonds  10
TPSA  97.71
RO5 Violation  0