NPASS drugs

Drug Information

Drug ID:	NPD9274
Drug Name:	Aminosalicylate Potassium
Molecular Formula:	C7H7NO3.K
Canonical SMILES:	Nc1ccc(c(c1)[O-])C(=O)O.[K+]
Standard InCHI:	InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
Standard InCHIKey:	PRZJIMSXCLZGLT-UHFFFAOYSA-M
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9274

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	219
0.1-0.2	1780
0.2-0.3	6190
0.3-0.4	6259
0.4-0.5	8798
0.5-0.6	7107
0.6-0.7	499
0.7-0.8	33
0.8-0.85	1
0.85-0.9	3
0.9-0.95	0
0.95-1	1

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	0.9924	NPC301702
High Similarity	0.8768	NPC316574
High Similarity	0.855	NPC150323
High Similarity	0.8511	NPC181526
Intermediate Similarity	0.8027	NPC323798
Intermediate Similarity	0.7868	NPC130931
Intermediate Similarity	0.7852	NPC229353
Intermediate Similarity	0.7842	NPC205946
Intermediate Similarity	0.7786	NPC314278
Intermediate Similarity	0.777	NPC13696
Intermediate Similarity	0.7755	NPC314252
Intermediate Similarity	0.7748	NPC315829
Intermediate Similarity	0.7619	NPC43218
Intermediate Similarity	0.7569	NPC314098
Intermediate Similarity	0.7531	NPC471778
Intermediate Similarity	0.7517	NPC242933
Intermediate Similarity	0.75	NPC100551
Intermediate Similarity	0.7438	NPC199737
Intermediate Similarity	0.7391	NPC204867
Intermediate Similarity	0.7329	NPC475983
Intermediate Similarity	0.7246	NPC160179
Intermediate Similarity	0.7202	NPC9475
Intermediate Similarity	0.7197	NPC256838
Intermediate Similarity	0.7181	NPC253476
Intermediate Similarity	0.7169	NPC474814
Intermediate Similarity	0.7169	NPC112336
Intermediate Similarity	0.7153	NPC226794
Intermediate Similarity	0.7122	NPC222982
Intermediate Similarity	0.7118	NPC298320
Intermediate Similarity	0.7105	NPC319645
Intermediate Similarity	0.7101	NPC211421
Intermediate Similarity	0.7101	NPC223004
Intermediate Similarity	0.7089	NPC241392
Intermediate Similarity	0.7075	NPC122235
Intermediate Similarity	0.7071	NPC128825
Intermediate Similarity	0.7071	NPC312800
Intermediate Similarity	0.7044	NPC264400
Intermediate Similarity	0.7039	NPC159722
Remote Similarity	0.6993	NPC181527
Remote Similarity	0.6972	NPC241089
Remote Similarity	0.6972	NPC94637
Remote Similarity	0.6923	NPC90522
Remote Similarity	0.6923	NPC328459
Remote Similarity	0.6912	NPC303264
Remote Similarity	0.6903	NPC43477
Remote Similarity	0.6901	NPC125252
Remote Similarity	0.6875	NPC233282
Remote Similarity	0.6875	NPC72977
Remote Similarity	0.6875	NPC260837
Remote Similarity	0.6861	NPC224584
Remote Similarity	0.6859	NPC3207
Remote Similarity	0.6839	NPC238108
Remote Similarity	0.6815	NPC38262
Remote Similarity	0.6806	NPC184579
Remote Similarity	0.6806	NPC233165
Remote Similarity	0.6752	NPC472241
Remote Similarity	0.6735	NPC311219
Remote Similarity	0.6731	NPC472243
Remote Similarity	0.6723	NPC150308
Remote Similarity	0.6722	NPC114039
Remote Similarity	0.6722	NPC206109
Remote Similarity	0.6718	NPC174760
Remote Similarity	0.6715	NPC187913
Remote Similarity	0.6715	NPC184658
Remote Similarity	0.6713	NPC281686
Remote Similarity	0.6713	NPC188867
Remote Similarity	0.6713	NPC106551
Remote Similarity	0.6712	NPC178395
Remote Similarity	0.6712	NPC26433
Remote Similarity	0.6712	NPC35856
Remote Similarity	0.6712	NPC222876
Remote Similarity	0.6712	NPC179092
Remote Similarity	0.6712	NPC159760
Remote Similarity	0.6712	NPC301987
Remote Similarity	0.6712	NPC272454
Remote Similarity	0.6712	NPC115188
Remote Similarity	0.6712	NPC292665
Remote Similarity	0.6712	NPC244994
Remote Similarity	0.6703	NPC303214
Remote Similarity	0.6703	NPC232600
Remote Similarity	0.669	NPC276111
Remote Similarity	0.669	NPC118288
Remote Similarity	0.6688	NPC173295
Remote Similarity	0.6687	NPC146370
Remote Similarity	0.6687	NPC259678
Remote Similarity	0.6684	NPC313112
Remote Similarity	0.6684	NPC301292
Remote Similarity	0.6667	NPC307437
Remote Similarity	0.6667	NPC86834
Remote Similarity	0.6667	NPC288759
Remote Similarity	0.6667	NPC144691
Remote Similarity	0.6667	NPC29883
Remote Similarity	0.6667	NPC210828
Remote Similarity	0.6667	NPC198336
Remote Similarity	0.6667	NPC58827
Remote Similarity	0.6667	NPC72473
Remote Similarity	0.6667	NPC469828
Remote Similarity	0.6647	NPC470971
Remote Similarity	0.6644	NPC472244
Remote Similarity	0.6644	NPC470343
Remote Similarity	0.6643	NPC188907
Remote Similarity	0.6643	NPC9336
Remote Similarity	0.6629	NPC98416
Remote Similarity	0.6625	NPC472242
Remote Similarity	0.6622	NPC283514
Remote Similarity	0.6622	NPC244351
Remote Similarity	0.6621	NPC283844
Remote Similarity	0.6603	NPC166667
Remote Similarity	0.66	NPC179468
Remote Similarity	0.66	NPC4164
Remote Similarity	0.6593	NPC70201
Remote Similarity	0.6579	NPC477432
Remote Similarity	0.6575	NPC28510
Remote Similarity	0.6575	NPC239697
Remote Similarity	0.6575	NPC161617
Remote Similarity	0.6575	NPC203628
Remote Similarity	0.6573	NPC163154
Remote Similarity	0.6562	NPC23294
Remote Similarity	0.6561	NPC238412
Remote Similarity	0.6556	NPC95309
Remote Similarity	0.6552	NPC217423
Remote Similarity	0.6552	NPC121259
Remote Similarity	0.6547	NPC141523
Remote Similarity	0.6546	NPC116238
Remote Similarity	0.6533	NPC91475
Remote Similarity	0.6533	NPC6888
Remote Similarity	0.6533	NPC236189
Remote Similarity	0.6533	NPC265910
Remote Similarity	0.6528	NPC161304
Remote Similarity	0.6528	NPC240163
Remote Similarity	0.6519	NPC474059
Remote Similarity	0.6513	NPC71525
Remote Similarity	0.651	NPC303951
Remote Similarity	0.6503	NPC98543
Remote Similarity	0.6496	NPC13426
Remote Similarity	0.6496	NPC311660
Remote Similarity	0.6492	NPC39679
Remote Similarity	0.649	NPC322433
Remote Similarity	0.649	NPC240744
Remote Similarity	0.649	NPC167055
Remote Similarity	0.6486	NPC297186
Remote Similarity	0.6486	NPC165197
Remote Similarity	0.6483	NPC108288
Remote Similarity	0.648	NPC169402
Remote Similarity	0.648	NPC132751
Remote Similarity	0.6477	NPC474815
Remote Similarity	0.6471	NPC95537
Remote Similarity	0.6467	NPC477153
Remote Similarity	0.6463	NPC188814
Remote Similarity	0.6463	NPC195262
Remote Similarity	0.6447	NPC321561
Remote Similarity	0.6443	NPC267552
Remote Similarity	0.6443	NPC156139
Remote Similarity	0.6443	NPC73532
Remote Similarity	0.6443	NPC224273
Remote Similarity	0.6443	NPC115159
Remote Similarity	0.6443	NPC19174
Remote Similarity	0.6443	NPC45438
Remote Similarity	0.6443	NPC143427
Remote Similarity	0.6443	NPC25168
Remote Similarity	0.6438	NPC269414
Remote Similarity	0.6438	NPC230349
Remote Similarity	0.6438	NPC160199
Remote Similarity	0.6438	NPC28169
Remote Similarity	0.6437	NPC73280
Remote Similarity	0.6432	NPC170333
Remote Similarity	0.6429	NPC37584
Remote Similarity	0.6421	NPC133156
Remote Similarity	0.642	NPC127082
Remote Similarity	0.6419	NPC230951
Remote Similarity	0.6418	NPC246679
Remote Similarity	0.6417	NPC241263
Remote Similarity	0.6412	NPC62765
Remote Similarity	0.6408	NPC226914
Remote Similarity	0.6405	NPC214620
Remote Similarity	0.6405	NPC145888
Remote Similarity	0.6405	NPC181715
Remote Similarity	0.6405	NPC16031
Remote Similarity	0.6405	NPC161593
Remote Similarity	0.6402	NPC15987
Remote Similarity	0.64	NPC32032
Remote Similarity	0.64	NPC297193
Remote Similarity	0.64	NPC133909
Remote Similarity	0.64	NPC309765
Remote Similarity	0.6395	NPC161943
Remote Similarity	0.6395	NPC317784
Remote Similarity	0.6395	NPC40649
Remote Similarity	0.6395	NPC41567
Remote Similarity	0.6395	NPC142638
Remote Similarity	0.6395	NPC209486
Remote Similarity	0.6395	NPC273282
Remote Similarity	0.6395	NPC474890
Remote Similarity	0.6395	NPC184527
Remote Similarity	0.6393	NPC1820
Remote Similarity	0.6392	NPC87413
Remote Similarity	0.6387	NPC31539
Remote Similarity	0.6387	NPC42292
Remote Similarity	0.6387	NPC307732
Remote Similarity	0.6384	NPC126515
Remote Similarity	0.6384	NPC274002

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	152.03
ALogP	-1.7838
MLogP	1.79
XLogP	1.023
HDA	3
HBD	2
Rotatable Bonds	4
TPSA	86.38
RO5 Violation	0