Drug Information

Drug ID:  NPD9723
Drug Name:  Diloxanide
Molecular Formula:  C9H9Cl2NO2
Canonical SMILES:  ClC(C(=O)N(c1ccc(cc1)O)C)Cl
Standard InCHI:  InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3
Standard InCHIKey:  GZZZSOOGQLOEOB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9723

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 0.7724 NPC76327
Intermediate Similarity 0.7413 NPC204156
Intermediate Similarity 0.7377 NPC70201
Intermediate Similarity 0.7188 NPC255721
Intermediate Similarity 0.7165 NPC44836
Intermediate Similarity 0.7132 NPC9336
Remote Similarity 0.697 NPC264782
Remote Similarity 0.6887 NPC146370
Remote Similarity 0.6867 NPC260601
Remote Similarity 0.6866 NPC222982
Remote Similarity 0.685 NPC311660
Remote Similarity 0.6809 NPC250476
Remote Similarity 0.6797 NPC256838
Remote Similarity 0.6733 NPC476462
Remote Similarity 0.6713 NPC17374
Remote Similarity 0.6711 NPC47986
Remote Similarity 0.6645 NPC144691
Remote Similarity 0.6621 NPC231382
Remote Similarity 0.6594 NPC228515
Remote Similarity 0.6593 NPC322735
Remote Similarity 0.6547 NPC321869
Remote Similarity 0.6544 NPC329190
Remote Similarity 0.6543 NPC139506
Remote Similarity 0.6543 NPC292143
Remote Similarity 0.6493 NPC329358
Remote Similarity 0.6486 NPC91615
Remote Similarity 0.6481 NPC199737
Remote Similarity 0.6383 NPC316582
Remote Similarity 0.6364 NPC168750
Remote Similarity 0.6357 NPC75496
Remote Similarity 0.6325 NPC33507
Remote Similarity 0.6316 NPC476475
Remote Similarity 0.6308 NPC326792
Remote Similarity 0.6308 NPC155847
Remote Similarity 0.6308 NPC289381
Remote Similarity 0.6284 NPC314098
Remote Similarity 0.628 NPC133470
Remote Similarity 0.628 NPC191863
Remote Similarity 0.628 NPC289776
Remote Similarity 0.6276 NPC171372
Remote Similarity 0.6266 NPC257142
Remote Similarity 0.625 NPC474814
Remote Similarity 0.625 NPC112336
Remote Similarity 0.6242 NPC204867
Remote Similarity 0.6242 NPC313466
Remote Similarity 0.6218 NPC470404
Remote Similarity 0.6218 NPC323798
Remote Similarity 0.6218 NPC470394
Remote Similarity 0.6218 NPC470403
Remote Similarity 0.6196 NPC469428
Remote Similarity 0.619 NPC218323
Remote Similarity 0.619 NPC471778
Remote Similarity 0.6184 NPC122542
Remote Similarity 0.6159 NPC184437
Remote Similarity 0.6154 NPC308197
Remote Similarity 0.6149 NPC471785
Remote Similarity 0.6149 NPC284348
Remote Similarity 0.6148 NPC20322
Remote Similarity 0.6139 NPC470395
Remote Similarity 0.6131 NPC226914
Remote Similarity 0.6121 NPC93653
Remote Similarity 0.6111 NPC36168
Remote Similarity 0.6104 NPC469828
Remote Similarity 0.6084 NPC230942
Remote Similarity 0.6084 NPC315498
Remote Similarity 0.6065 NPC315051
Remote Similarity 0.6061 NPC301163
Remote Similarity 0.6059 NPC469671
Remote Similarity 0.6059 NPC126676
Remote Similarity 0.6053 NPC253476
Remote Similarity 0.6047 NPC290069
Remote Similarity 0.6039 NPC316574
Remote Similarity 0.6037 NPC315257
Remote Similarity 0.6034 NPC166169
Remote Similarity 0.6026 NPC257390
Remote Similarity 0.6024 NPC25899
Remote Similarity 0.6012 NPC70172
Remote Similarity 0.6012 NPC220560
Remote Similarity 0.6 NPC116573
Remote Similarity 0.6 NPC220523
Remote Similarity 0.597 NPC178902
Remote Similarity 0.5963 NPC242000
Remote Similarity 0.5962 NPC242933
Remote Similarity 0.5962 NPC150712
Remote Similarity 0.596 NPC120251
Remote Similarity 0.5959 NPC268348
Remote Similarity 0.5948 NPC297584
Remote Similarity 0.5943 NPC39822
Remote Similarity 0.594 NPC29601
Remote Similarity 0.5935 NPC166667
Remote Similarity 0.5932 NPC302235
Remote Similarity 0.593 NPC477185
Remote Similarity 0.5928 NPC320064
Remote Similarity 0.5924 NPC314113
Remote Similarity 0.5921 NPC476689
Remote Similarity 0.5921 NPC476685
Remote Similarity 0.5921 NPC476687
Remote Similarity 0.592 NPC477187
Remote Similarity 0.5915 NPC471132
Remote Similarity 0.5909 NPC317872
Remote Similarity 0.5906 NPC151489
Remote Similarity 0.5901 NPC161292
Remote Similarity 0.5897 NPC238412
Remote Similarity 0.5893 NPC48192
Remote Similarity 0.5886 NPC474815
Remote Similarity 0.5882 NPC174421
Remote Similarity 0.5878 NPC315632
Remote Similarity 0.5875 NPC125852
Remote Similarity 0.5872 NPC471648
Remote Similarity 0.5872 NPC85482
Remote Similarity 0.5871 NPC109580
Remote Similarity 0.5871 NPC159589
Remote Similarity 0.5868 NPC471122
Remote Similarity 0.5866 NPC262725
Remote Similarity 0.586 NPC472243
Remote Similarity 0.5856 NPC5630
Remote Similarity 0.5852 NPC298320
Remote Similarity 0.5849 NPC60553
Remote Similarity 0.5839 NPC231705
Remote Similarity 0.5833 NPC31651
Remote Similarity 0.5833 NPC126637
Remote Similarity 0.5827 NPC297532
Remote Similarity 0.5824 NPC471124
Remote Similarity 0.5824 NPC92803
Remote Similarity 0.5824 NPC470483
Remote Similarity 0.5823 NPC43477
Remote Similarity 0.5819 NPC116096
Remote Similarity 0.5806 NPC134825
Remote Similarity 0.5806 NPC473360
Remote Similarity 0.5806 NPC15839
Remote Similarity 0.5802 NPC315829
Remote Similarity 0.5802 NPC254798
Remote Similarity 0.5801 NPC18890
Remote Similarity 0.58 NPC318965
Remote Similarity 0.5797 NPC142297
Remote Similarity 0.5796 NPC315224
Remote Similarity 0.5786 NPC318935
Remote Similarity 0.5778 NPC150308
Remote Similarity 0.5772 NPC307456
Remote Similarity 0.5761 NPC470485
Remote Similarity 0.5759 NPC476989
Remote Similarity 0.5759 NPC314252
Remote Similarity 0.5758 NPC153769
Remote Similarity 0.5752 NPC474087
Remote Similarity 0.5746 NPC125732
Remote Similarity 0.5742 NPC266425
Remote Similarity 0.5733 NPC472244
Remote Similarity 0.5733 NPC470343
Remote Similarity 0.5732 NPC328029
Remote Similarity 0.5732 NPC313694
Remote Similarity 0.5732 NPC242159
Remote Similarity 0.5731 NPC299582
Remote Similarity 0.5731 NPC471178
Remote Similarity 0.5725 NPC476483
Remote Similarity 0.5723 NPC280853
Remote Similarity 0.5723 NPC251439
Remote Similarity 0.5722 NPC314002
Remote Similarity 0.5714 NPC100980
Remote Similarity 0.5714 NPC172046
Remote Similarity 0.5714 NPC258056
Remote Similarity 0.5706 NPC79911
Remote Similarity 0.5706 NPC471177
Remote Similarity 0.5706 NPC59779
Remote Similarity 0.5706 NPC475983
Remote Similarity 0.5706 NPC124542
Remote Similarity 0.5698 NPC133306
Remote Similarity 0.5694 NPC10286
Remote Similarity 0.5694 NPC213
Remote Similarity 0.5694 NPC160179
Remote Similarity 0.5691 NPC171171
Remote Similarity 0.5687 NPC472241
Remote Similarity 0.5687 NPC245657
Remote Similarity 0.5687 NPC285016
Remote Similarity 0.5687 NPC470090
Remote Similarity 0.5686 NPC226662
Remote Similarity 0.5684 NPC211813
Remote Similarity 0.5683 NPC37584
Remote Similarity 0.5682 NPC129624
Remote Similarity 0.568 NPC84508
Remote Similarity 0.5677 NPC208022
Remote Similarity 0.5677 NPC302171
Remote Similarity 0.5677 NPC33338
Remote Similarity 0.5677 NPC300020
Remote Similarity 0.5676 NPC473051
Remote Similarity 0.5676 NPC56634
Remote Similarity 0.5676 NPC473050
Remote Similarity 0.5674 NPC271792
Remote Similarity 0.5674 NPC474149
Remote Similarity 0.5673 NPC473057
Remote Similarity 0.5667 NPC307020
Remote Similarity 0.5667 NPC204717
Remote Similarity 0.5665 NPC44161
Remote Similarity 0.5661 NPC127178
Remote Similarity 0.566 NPC231572
Remote Similarity 0.566 NPC181526
Remote Similarity 0.566 NPC471596
Remote Similarity 0.5658 NPC305717
Remote Similarity 0.5656 NPC65517
Remote Similarity 0.5652 NPC266741
Remote Similarity 0.565 NPC184964

Drug Structure

External Identifiers

TTD   DIB006122
DrugBank   DB08792
ChEMBL   CHEMBL2103768
IUPHAR/BPS  
PharmaGKB   PA165958413
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  579-38-4

Drug Properties

Molecular Weight  233.00
ALogP  0.2122
MLogP  1.9
XLogP  1.872
HDA  2
HBD  1
Rotatable Bonds  7
TPSA  40.54
RO5 Violation  0