NPASS drugs

Drug Information

Drug ID:	NPD1208
Drug Name:	Meclofenamate Sodium
Molecular Formula:	C14H11Cl2NO2.Na
Canonical SMILES:	[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C.[Na+]
Standard InCHI:	InChI=1S/C14H11Cl2NO2.Na/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);/q;+1/p-1
Standard InCHIKey:	OGPIIGMUPMPMNT-UHFFFAOYSA-M
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1208

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	242
0.1-0.2	2393
0.2-0.3	9172
0.3-0.4	9361
0.4-0.5	8366
0.5-0.6	1214
0.6-0.7	134
0.7-0.8	8
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	0.7815	NPC253476
Intermediate Similarity	0.7763	NPC173295
Intermediate Similarity	0.7516	NPC43477
Intermediate Similarity	0.745	NPC226794
Intermediate Similarity	0.7297	NPC130931
Intermediate Similarity	0.7255	NPC122235
Intermediate Similarity	0.7251	NPC182131
Intermediate Similarity	0.7086	NPC268534
Remote Similarity	0.6987	NPC194562
Remote Similarity	0.6954	NPC179605
Remote Similarity	0.6954	NPC279385
Remote Similarity	0.6933	NPC229353
Remote Similarity	0.6914	NPC242933
Remote Similarity	0.6908	NPC103292
Remote Similarity	0.6906	NPC470317
Remote Similarity	0.6886	NPC300596
Remote Similarity	0.6886	NPC237649
Remote Similarity	0.6868	NPC471742
Remote Similarity	0.6852	NPC181527
Remote Similarity	0.6835	NPC314098
Remote Similarity	0.6821	NPC27904
Remote Similarity	0.6815	NPC209389
Remote Similarity	0.679	NPC159722
Remote Similarity	0.6722	NPC471743
Remote Similarity	0.6688	NPC257490
Remote Similarity	0.6684	NPC313293
Remote Similarity	0.6667	NPC259678
Remote Similarity	0.6648	NPC189116
Remote Similarity	0.6647	NPC144691
Remote Similarity	0.6623	NPC150323
Remote Similarity	0.6603	NPC254698
Remote Similarity	0.6599	NPC477999
Remote Similarity	0.6593	NPC219848
Remote Similarity	0.6592	NPC471778
Remote Similarity	0.6561	NPC192533
Remote Similarity	0.6558	NPC177684
Remote Similarity	0.6558	NPC291962
Remote Similarity	0.6557	NPC256268
Remote Similarity	0.6554	NPC204867
Remote Similarity	0.6541	NPC243058
Remote Similarity	0.6538	NPC39818
Remote Similarity	0.6531	NPC172170
Remote Similarity	0.6519	NPC205946
Remote Similarity	0.6516	NPC112373
Remote Similarity	0.6516	NPC258531
Remote Similarity	0.6516	NPC161956
Remote Similarity	0.6505	NPC203635
Remote Similarity	0.646	NPC477432
Remote Similarity	0.645	NPC130797
Remote Similarity	0.6446	NPC319645
Remote Similarity	0.6443	NPC216122
Remote Similarity	0.6441	NPC93653
Remote Similarity	0.6438	NPC307437
Remote Similarity	0.6438	NPC72473
Remote Similarity	0.6438	NPC58827
Remote Similarity	0.6436	NPC90415
Remote Similarity	0.6429	NPC177261
Remote Similarity	0.6425	NPC471130
Remote Similarity	0.6404	NPC88970
Remote Similarity	0.6404	NPC199737
Remote Similarity	0.6369	NPC2823
Remote Similarity	0.6344	NPC475685
Remote Similarity	0.6344	NPC283810
Remote Similarity	0.6333	NPC299582
Remote Similarity	0.6331	NPC472241
Remote Similarity	0.6303	NPC162417
Remote Similarity	0.6303	NPC316104
Remote Similarity	0.6302	NPC138370
Remote Similarity	0.6296	NPC49184
Remote Similarity	0.6296	NPC316141
Remote Similarity	0.6287	NPC43218
Remote Similarity	0.6273	NPC250476
Remote Similarity	0.6263	NPC160381
Remote Similarity	0.6257	NPC322644
Remote Similarity	0.623	NPC278434
Remote Similarity	0.6229	NPC314223
Remote Similarity	0.6222	NPC257763
Remote Similarity	0.6221	NPC472242
Remote Similarity	0.622	NPC231382
Remote Similarity	0.6216	NPC475594
Remote Similarity	0.6213	NPC472243
Remote Similarity	0.6211	NPC472244
Remote Similarity	0.6211	NPC470343
Remote Similarity	0.6199	NPC308197
Remote Similarity	0.6198	NPC477998
Remote Similarity	0.6196	NPC112336
Remote Similarity	0.6196	NPC474814
Remote Similarity	0.619	NPC316574
Remote Similarity	0.6183	NPC475607
Remote Similarity	0.6176	NPC471164
Remote Similarity	0.6175	NPC470971
Remote Similarity	0.617	NPC298320
Remote Similarity	0.6168	NPC300299
Remote Similarity	0.615	NPC474081
Remote Similarity	0.6146	NPC473815
Remote Similarity	0.6139	NPC226143
Remote Similarity	0.6129	NPC470548
Remote Similarity	0.6126	NPC282103
Remote Similarity	0.6122	NPC198205
Remote Similarity	0.6122	NPC21483
Remote Similarity	0.6118	NPC314252
Remote Similarity	0.6118	NPC181526
Remote Similarity	0.6108	NPC318183
Remote Similarity	0.6107	NPC324786
Remote Similarity	0.61	NPC471944
Remote Similarity	0.6096	NPC84347
Remote Similarity	0.6095	NPC287358
Remote Similarity	0.6085	NPC85613
Remote Similarity	0.608	NPC241392
Remote Similarity	0.608	NPC13526
Remote Similarity	0.6075	NPC73280
Remote Similarity	0.6074	NPC314278
Remote Similarity	0.6074	NPC322433
Remote Similarity	0.6069	NPC136002
Remote Similarity	0.6069	NPC323798
Remote Similarity	0.6065	NPC57051
Remote Similarity	0.6061	NPC198390
Remote Similarity	0.6059	NPC83214
Remote Similarity	0.6056	NPC61013
Remote Similarity	0.6056	NPC123241
Remote Similarity	0.6053	NPC472163
Remote Similarity	0.6044	NPC293458
Remote Similarity	0.6032	NPC474815
Remote Similarity	0.6032	NPC475761
Remote Similarity	0.6032	NPC474041
Remote Similarity	0.603	NPC311054
Remote Similarity	0.603	NPC112752
Remote Similarity	0.6029	NPC243850
Remote Similarity	0.6024	NPC316746
Remote Similarity	0.6023	NPC207554
Remote Similarity	0.6023	NPC242000
Remote Similarity	0.6022	NPC126676
Remote Similarity	0.6022	NPC36495
Remote Similarity	0.6022	NPC193410
Remote Similarity	0.6022	NPC469671
Remote Similarity	0.6	NPC90358
Remote Similarity	0.6	NPC5167
Remote Similarity	0.6	NPC63370
Remote Similarity	0.6	NPC241263
Remote Similarity	0.6	NPC146370
Remote Similarity	0.6	NPC107828
Remote Similarity	0.6	NPC36836
Remote Similarity	0.5989	NPC191310
Remote Similarity	0.5989	NPC248117
Remote Similarity	0.5988	NPC476685
Remote Similarity	0.5988	NPC476687
Remote Similarity	0.5988	NPC316202
Remote Similarity	0.5988	NPC476689
Remote Similarity	0.5978	NPC295021
Remote Similarity	0.5977	NPC190945
Remote Similarity	0.5968	NPC472118
Remote Similarity	0.5965	NPC315224
Remote Similarity	0.5964	NPC472245
Remote Similarity	0.5957	NPC303225
Remote Similarity	0.5954	NPC301702
Remote Similarity	0.5941	NPC136573
Remote Similarity	0.5941	NPC176371
Remote Similarity	0.5938	NPC471785
Remote Similarity	0.5936	NPC292265
Remote Similarity	0.5933	NPC291426
Remote Similarity	0.5931	NPC314648
Remote Similarity	0.5931	NPC132539
Remote Similarity	0.5922	NPC117032
Remote Similarity	0.5922	NPC285192
Remote Similarity	0.5914	NPC224970
Remote Similarity	0.5914	NPC223595
Remote Similarity	0.5914	NPC167724
Remote Similarity	0.5914	NPC470894
Remote Similarity	0.5911	NPC288759
Remote Similarity	0.5911	NPC475223
Remote Similarity	0.5902	NPC315638
Remote Similarity	0.5902	NPC313796
Remote Similarity	0.5902	NPC313345
Remote Similarity	0.5902	NPC82053
Remote Similarity	0.5902	NPC314855
Remote Similarity	0.59	NPC141454
Remote Similarity	0.5899	NPC192712
Remote Similarity	0.5896	NPC471574
Remote Similarity	0.5895	NPC9475
Remote Similarity	0.5882	NPC79618
Remote Similarity	0.5882	NPC475448
Remote Similarity	0.5882	NPC246983
Remote Similarity	0.5879	NPC477887
Remote Similarity	0.5874	NPC314297
Remote Similarity	0.5874	NPC315545
Remote Similarity	0.5871	NPC474916
Remote Similarity	0.587	NPC99632
Remote Similarity	0.587	NPC282339
Remote Similarity	0.5867	NPC221873
Remote Similarity	0.586	NPC471652
Remote Similarity	0.5859	NPC114039
Remote Similarity	0.5859	NPC206109
Remote Similarity	0.5854	NPC301292
Remote Similarity	0.5854	NPC313112
Remote Similarity	0.5846	NPC150308
Remote Similarity	0.5846	NPC194040
Remote Similarity	0.5845	NPC472844
Remote Similarity	0.5845	NPC266249
Remote Similarity	0.5838	NPC315051
Remote Similarity	0.5838	NPC83111

Drug Structure

NPD1208 OpenBabel08211700192D 21 21 0 0 0 0 0 0 0 0999 V2000 1.3660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -4.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4994 -2.2706 0.0000 Na 0 3 0 0 0 15 0 0 0 0 0 0 3.0981 -1.0000 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 21 1 0 0 0 0 M CHG 2 19 -1 20 1 M END $$$$

External Identifiers

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

Drug Properties

Molecular Weight	294.01
ALogP	0.7926
MLogP	2.45
XLogP	3.759
HDA	3
HBD	1
Rotatable Bonds	7
TPSA	52.16
RO5 Violation	0