NPASS drugs

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.

Range	Similarity Score Range
0-0.1	132
0.1-0.2	3392
0.2-0.3	9603
0.3-0.4	8311
0.4-0.5	7961
0.5-0.6	1411
0.6-0.7	74
0.7-0.8	6
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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