NPASS drugs

Drug Information

Drug ID:	NPD1210
Drug Name:	Meclofenamic Acid
Molecular Formula:	C14H11Cl2NO2
Canonical SMILES:	OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C
Standard InCHI:	InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
Standard InCHIKey:	SBDNJUWAMKYJOX-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD1210

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	202
0.1-0.2	1910
0.2-0.3	8103
0.3-0.4	8429
0.4-0.5	10549
0.5-0.6	1532
0.6-0.7	147
0.7-0.8	17
0.8-0.85	1
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	0.8079	NPC253476
Intermediate Similarity	0.7771	NPC43477
Intermediate Similarity	0.7568	NPC130931
Intermediate Similarity	0.7564	NPC173295
Intermediate Similarity	0.7485	NPC182131
Intermediate Similarity	0.7255	NPC226794
Intermediate Similarity	0.72	NPC229353
Intermediate Similarity	0.716	NPC242933
Intermediate Similarity	0.7134	NPC194562
Intermediate Similarity	0.7127	NPC470317
Intermediate Similarity	0.7126	NPC300596
Intermediate Similarity	0.7126	NPC237649
Intermediate Similarity	0.7099	NPC181527
Intermediate Similarity	0.7089	NPC314098
Intermediate Similarity	0.7088	NPC471742
Intermediate Similarity	0.707	NPC122235
Intermediate Similarity	0.7052	NPC27904
Intermediate Similarity	0.7037	NPC159722
Remote Similarity	0.6944	NPC471743
Remote Similarity	0.6905	NPC259678
Remote Similarity	0.6903	NPC268534
Remote Similarity	0.6898	NPC313293
Remote Similarity	0.6883	NPC150323
Remote Similarity	0.6882	NPC144691
Remote Similarity	0.6875	NPC189116
Remote Similarity	0.6816	NPC471778
Remote Similarity	0.6813	NPC219848
Remote Similarity	0.678	NPC204867
Remote Similarity	0.6776	NPC256268
Remote Similarity	0.6774	NPC279385
Remote Similarity	0.6774	NPC179605
Remote Similarity	0.6772	NPC205946
Remote Similarity	0.6757	NPC243058
Remote Similarity	0.6731	NPC103292
Remote Similarity	0.672	NPC203635
Remote Similarity	0.6717	NPC477999
Remote Similarity	0.6711	NPC216122
Remote Similarity	0.6649	NPC90415
Remote Similarity	0.6648	NPC471130
Remote Similarity	0.6646	NPC209389
Remote Similarity	0.6629	NPC88970
Remote Similarity	0.6629	NPC199737
Remote Similarity	0.6605	NPC477432
Remote Similarity	0.6588	NPC130797
Remote Similarity	0.6584	NPC72473
Remote Similarity	0.6584	NPC307437
Remote Similarity	0.6584	NPC58827
Remote Similarity	0.6568	NPC472241
Remote Similarity	0.6559	NPC475685
Remote Similarity	0.6527	NPC43218
Remote Similarity	0.6519	NPC257490
Remote Similarity	0.6508	NPC316141
Remote Similarity	0.648	NPC322644
Remote Similarity	0.6478	NPC39818
Remote Similarity	0.6453	NPC472242
Remote Similarity	0.645	NPC472243
Remote Similarity	0.644	NPC278434
Remote Similarity	0.6438	NPC254698
Remote Similarity	0.6432	NPC475594
Remote Similarity	0.6429	NPC316574
Remote Similarity	0.6413	NPC112336
Remote Similarity	0.6413	NPC474814
Remote Similarity	0.6398	NPC475607
Remote Similarity	0.6398	NPC192533
Remote Similarity	0.6392	NPC291962
Remote Similarity	0.6392	NPC177684
Remote Similarity	0.6383	NPC298320
Remote Similarity	0.6376	NPC324786
Remote Similarity	0.6364	NPC314223
Remote Similarity	0.6364	NPC474081
Remote Similarity	0.6358	NPC470343
Remote Similarity	0.6358	NPC172170
Remote Similarity	0.6358	NPC472244
Remote Similarity	0.6354	NPC473815
Remote Similarity	0.6353	NPC314252
Remote Similarity	0.6353	NPC181526
Remote Similarity	0.6352	NPC161956
Remote Similarity	0.6352	NPC112373
Remote Similarity	0.6352	NPC258531
Remote Similarity	0.6344	NPC470548
Remote Similarity	0.6324	NPC318183
Remote Similarity	0.6321	NPC477998
Remote Similarity	0.6319	NPC314278
Remote Similarity	0.6307	NPC241392
Remote Similarity	0.6304	NPC470971
Remote Similarity	0.6301	NPC323798
Remote Similarity	0.63	NPC471944
Remote Similarity	0.6298	NPC93653
Remote Similarity	0.6294	NPC319645
Remote Similarity	0.629	NPC177261
Remote Similarity	0.6244	NPC21483
Remote Similarity	0.6244	NPC198205
Remote Similarity	0.6243	NPC36495
Remote Similarity	0.6243	NPC474815
Remote Similarity	0.6243	NPC474041
Remote Similarity	0.6243	NPC475761
Remote Similarity	0.6237	NPC126676
Remote Similarity	0.6237	NPC469671
Remote Similarity	0.6235	NPC287358
Remote Similarity	0.6231	NPC311054
Remote Similarity	0.6231	NPC112752
Remote Similarity	0.6229	NPC146370
Remote Similarity	0.6228	NPC476687
Remote Similarity	0.6228	NPC476689
Remote Similarity	0.6228	NPC476685
Remote Similarity	0.6221	NPC2823
Remote Similarity	0.6215	NPC13526
Remote Similarity	0.6211	NPC283810
Remote Similarity	0.62	NPC107828
Remote Similarity	0.62	NPC291426
Remote Similarity	0.62	NPC90358
Remote Similarity	0.6199	NPC315224
Remote Similarity	0.6196	NPC299582
Remote Similarity	0.6185	NPC301702
Remote Similarity	0.6181	NPC198390
Remote Similarity	0.6173	NPC138370
Remote Similarity	0.617	NPC303225
Remote Similarity	0.6168	NPC316746
Remote Similarity	0.6166	NPC49184
Remote Similarity	0.6154	NPC316104
Remote Similarity	0.6154	NPC162417
Remote Similarity	0.615	NPC292265
Remote Similarity	0.6146	NPC471785
Remote Similarity	0.6139	NPC136573
Remote Similarity	0.6139	NPC176371
Remote Similarity	0.6134	NPC160381
Remote Similarity	0.6127	NPC316202
Remote Similarity	0.6127	NPC314648
Remote Similarity	0.6121	NPC322433
Remote Similarity	0.6121	NPC250476
Remote Similarity	0.6108	NPC472245
Remote Similarity	0.6108	NPC288759
Remote Similarity	0.6105	NPC9475
Remote Similarity	0.61	NPC141454
Remote Similarity	0.6096	NPC472118
Remote Similarity	0.6087	NPC257763
Remote Similarity	0.6071	NPC231382
Remote Similarity	0.6071	NPC221873
Remote Similarity	0.607	NPC474916
Remote Similarity	0.6061	NPC114039
Remote Similarity	0.6061	NPC206109
Remote Similarity	0.6057	NPC308197
Remote Similarity	0.6051	NPC150308
Remote Similarity	0.6051	NPC194040
Remote Similarity	0.6049	NPC301292
Remote Similarity	0.6049	NPC313112
Remote Similarity	0.6041	NPC83111
Remote Similarity	0.6039	NPC37584
Remote Similarity	0.6034	NPC471164
Remote Similarity	0.6029	NPC475223
Remote Similarity	0.6027	NPC472844
Remote Similarity	0.6023	NPC300299
Remote Similarity	0.602	NPC206186
Remote Similarity	0.6019	NPC313796
Remote Similarity	0.6019	NPC313345
Remote Similarity	0.6019	NPC315638
Remote Similarity	0.6019	NPC314855
Remote Similarity	0.6011	NPC315829
Remote Similarity	0.601	NPC92803
Remote Similarity	0.6	NPC475983
Remote Similarity	0.6	NPC246983
Remote Similarity	0.6	NPC202812
Remote Similarity	0.6	NPC165599
Remote Similarity	0.6	NPC282103
Remote Similarity	0.6	NPC475448
Remote Similarity	0.599	NPC18890
Remote Similarity	0.599	NPC315545
Remote Similarity	0.599	NPC314297
Remote Similarity	0.5989	NPC41717
Remote Similarity	0.5988	NPC226143
Remote Similarity	0.5977	NPC315051
Remote Similarity	0.5969	NPC84347
Remote Similarity	0.5966	NPC314287
Remote Similarity	0.5965	NPC184437
Remote Similarity	0.5962	NPC39679
Remote Similarity	0.5959	NPC85613
Remote Similarity	0.5955	NPC470579
Remote Similarity	0.5955	NPC478039
Remote Similarity	0.5954	NPC316906
Remote Similarity	0.5952	NPC150863
Remote Similarity	0.5952	NPC204303
Remote Similarity	0.5947	NPC73280
Remote Similarity	0.5942	NPC225400
Remote Similarity	0.5941	NPC90229
Remote Similarity	0.5932	NPC136002
Remote Similarity	0.593	NPC203628
Remote Similarity	0.5928	NPC472163
Remote Similarity	0.5924	NPC61013
Remote Similarity	0.5924	NPC313981
Remote Similarity	0.5924	NPC244856
Remote Similarity	0.5924	NPC123241
Remote Similarity	0.592	NPC476129
Remote Similarity	0.592	NPC476212
Remote Similarity	0.592	NPC476205
Remote Similarity	0.592	NPC476207
Remote Similarity	0.592	NPC476257
Remote Similarity	0.592	NPC476256
Remote Similarity	0.592	NPC83214
Remote Similarity	0.592	NPC476206
Remote Similarity	0.592	NPC259791

Drug Structure

NPD1210 OpenBabel08211700192D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 9 2 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DAP000815; DNC000919
DrugBank	DB00939
ChEMBL	CHEMBL509
IUPHAR/BPS	7219
PharmaGKB	PA450341
KEGG Drug	D02341
PubChem CID	4037
ChEBI	6710
CAS Number	644-62-2

Drug Properties

Molecular Weight	295.02
ALogP	1.4704
MLogP	2.45
XLogP	4.669
HDA	3
HBD	2
Rotatable Bonds	7
TPSA	49.33
RO5 Violation	0