NPASS drugs

Drug Information

Drug ID:	NPD9272
Drug Name:	Aminobenzoic Acid
Molecular Formula:	C7H7NO2
Canonical SMILES:	OC(=O)c1ccc(cc1)N
Standard InCHI:	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Standard InCHIKey:	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9272

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	154
0.1-0.2	1554
0.2-0.3	5166
0.3-0.4	8389
0.4-0.5	11949
0.5-0.6	3273
0.6-0.7	356
0.7-0.8	38
0.8-0.85	4
0.85-0.9	3
0.9-0.95	3
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	1.0	NPC150323
High Similarity	0.9138	NPC229353
High Similarity	0.9083	NPC205946
High Similarity	0.9008	NPC314278
High Similarity	0.8983	NPC130931
High Similarity	0.872	NPC314098
High Similarity	0.8615	NPC242933
Intermediate Similarity	0.8485	NPC301702
Intermediate Similarity	0.812	NPC319645
Intermediate Similarity	0.8095	NPC226794
Intermediate Similarity	0.8092	NPC253476
Intermediate Similarity	0.7931	NPC38262
Intermediate Similarity	0.791	NPC159722
Intermediate Similarity	0.791	NPC316574
Intermediate Similarity	0.7852	NPC181527
Intermediate Similarity	0.7846	NPC122235
Intermediate Similarity	0.7794	NPC181526
Intermediate Similarity	0.7794	NPC314252
Intermediate Similarity	0.7786	NPC315829
Intermediate Similarity	0.7737	NPC43477
Intermediate Similarity	0.7554	NPC472241
Intermediate Similarity	0.7536	NPC472243
Intermediate Similarity	0.7518	NPC43218
Intermediate Similarity	0.75	NPC307437
Intermediate Similarity	0.75	NPC173295
Intermediate Similarity	0.75	NPC62765
Intermediate Similarity	0.75	NPC72473
Intermediate Similarity	0.75	NPC58827
Intermediate Similarity	0.7481	NPC470343
Intermediate Similarity	0.7481	NPC472244
Intermediate Similarity	0.7465	NPC259678
Intermediate Similarity	0.7424	NPC322433
Intermediate Similarity	0.7394	NPC472242
Intermediate Similarity	0.7388	NPC477432
Intermediate Similarity	0.7295	NPC37584
Intermediate Similarity	0.7273	NPC317758
Intermediate Similarity	0.7255	NPC470971
Intermediate Similarity	0.7244	NPC160179
Intermediate Similarity	0.7203	NPC323798
Intermediate Similarity	0.7179	NPC61944
Intermediate Similarity	0.7154	NPC172170
Intermediate Similarity	0.7143	NPC318107
Intermediate Similarity	0.7132	NPC472245
Intermediate Similarity	0.7132	NPC194562
Intermediate Similarity	0.7119	NPC253423
Intermediate Similarity	0.7075	NPC241392
Intermediate Similarity	0.7059	NPC229242
Intermediate Similarity	0.7	NPC228435
Intermediate Similarity	0.7	NPC217621
Remote Similarity	0.6963	NPC474926
Remote Similarity	0.6953	NPC57051
Remote Similarity	0.6944	NPC13696
Remote Similarity	0.6942	NPC282895
Remote Similarity	0.6934	NPC150863
Remote Similarity	0.6913	NPC314223
Remote Similarity	0.6901	NPC287358
Remote Similarity	0.6885	NPC25458
Remote Similarity	0.6885	NPC304873
Remote Similarity	0.6885	NPC284477
Remote Similarity	0.6884	NPC314431
Remote Similarity	0.6884	NPC280807
Remote Similarity	0.6871	NPC478039
Remote Similarity	0.6846	NPC222982
Remote Similarity	0.6839	NPC189116
Remote Similarity	0.6835	NPC316746
Remote Similarity	0.6829	NPC291426
Remote Similarity	0.6829	NPC255676
Remote Similarity	0.6779	NPC300596
Remote Similarity	0.6779	NPC237649
Remote Similarity	0.6774	NPC324786
Remote Similarity	0.6752	NPC182131
Remote Similarity	0.6735	NPC314186
Remote Similarity	0.6723	NPC261181
Remote Similarity	0.672	NPC105899
Remote Similarity	0.6707	NPC470317
Remote Similarity	0.6695	NPC110704
Remote Similarity	0.6694	NPC293628
Remote Similarity	0.6694	NPC122493
Remote Similarity	0.6694	NPC10781
Remote Similarity	0.6667	NPC188867
Remote Similarity	0.6667	NPC187913
Remote Similarity	0.6667	NPC83111
Remote Similarity	0.6667	NPC281686
Remote Similarity	0.6667	NPC130398
Remote Similarity	0.6667	NPC106551
Remote Similarity	0.6667	NPC184658
Remote Similarity	0.6667	NPC471742
Remote Similarity	0.6667	NPC471778
Remote Similarity	0.6645	NPC36495
Remote Similarity	0.6644	NPC146370
Remote Similarity	0.6642	NPC226143
Remote Similarity	0.664	NPC256838
Remote Similarity	0.6623	NPC144691
Remote Similarity	0.6622	NPC190945
Remote Similarity	0.6614	NPC29883
Remote Similarity	0.6614	NPC249811
Remote Similarity	0.6603	NPC27904
Remote Similarity	0.6603	NPC322644
Remote Similarity	0.6562	NPC85493
Remote Similarity	0.6562	NPC100551
Remote Similarity	0.6562	NPC318327
Remote Similarity	0.6561	NPC199737
Remote Similarity	0.6561	NPC475983
Remote Similarity	0.6557	NPC249912
Remote Similarity	0.6557	NPC92754
Remote Similarity	0.6557	NPC276775
Remote Similarity	0.6557	NPC324569
Remote Similarity	0.6532	NPC70201
Remote Similarity	0.6531	NPC316202
Remote Similarity	0.6522	NPC292265
Remote Similarity	0.6522	NPC192533
Remote Similarity	0.6519	NPC239697
Remote Similarity	0.6515	NPC470550
Remote Similarity	0.6515	NPC205652
Remote Similarity	0.6512	NPC216122
Remote Similarity	0.651	NPC130797
Remote Similarity	0.6507	NPC238412
Remote Similarity	0.6504	NPC78701
Remote Similarity	0.6504	NPC35448
Remote Similarity	0.6504	NPC225060
Remote Similarity	0.6471	NPC313293
Remote Similarity	0.6471	NPC179605
Remote Similarity	0.6471	NPC279385
Remote Similarity	0.6462	NPC260818
Remote Similarity	0.6462	NPC476003
Remote Similarity	0.6452	NPC146351
Remote Similarity	0.6452	NPC325497
Remote Similarity	0.6452	NPC203925
Remote Similarity	0.6452	NPC118343
Remote Similarity	0.6449	NPC254698
Remote Similarity	0.6444	NPC317784
Remote Similarity	0.6444	NPC142638
Remote Similarity	0.6442	NPC303225
Remote Similarity	0.6435	NPC285773
Remote Similarity	0.6429	NPC178681
Remote Similarity	0.6429	NPC311660
Remote Similarity	0.6423	NPC103292
Remote Similarity	0.642	NPC318183
Remote Similarity	0.6419	NPC85443
Remote Similarity	0.6415	NPC204867
Remote Similarity	0.6412	NPC158282
Remote Similarity	0.6412	NPC321852
Remote Similarity	0.6412	NPC66208
Remote Similarity	0.64	NPC42211
Remote Similarity	0.64	NPC70624
Remote Similarity	0.6395	NPC315224
Remote Similarity	0.6391	NPC160381
Remote Similarity	0.6383	NPC321561
Remote Similarity	0.6378	NPC249067
Remote Similarity	0.6377	NPC268534
Remote Similarity	0.6371	NPC210529
Remote Similarity	0.6371	NPC160548
Remote Similarity	0.6371	NPC175852
Remote Similarity	0.6369	NPC211525
Remote Similarity	0.6369	NPC153694
Remote Similarity	0.6364	NPC9475
Remote Similarity	0.6349	NPC188895
Remote Similarity	0.6349	NPC45613
Remote Similarity	0.6338	NPC161593
Remote Similarity	0.6338	NPC145888
Remote Similarity	0.6338	NPC16031
Remote Similarity	0.6333	NPC314287
Remote Similarity	0.6333	NPC478040
Remote Similarity	0.6328	NPC476198
Remote Similarity	0.6328	NPC67043
Remote Similarity	0.6319	NPC112336
Remote Similarity	0.6319	NPC474814
Remote Similarity	0.6316	NPC237366
Remote Similarity	0.6316	NPC153053
Remote Similarity	0.6316	NPC211421
Remote Similarity	0.6304	NPC326079
Remote Similarity	0.6299	NPC301943
Remote Similarity	0.6299	NPC60679
Remote Similarity	0.6299	NPC164859
Remote Similarity	0.6299	NPC474365
Remote Similarity	0.6299	NPC89886
Remote Similarity	0.6296	NPC147957
Remote Similarity	0.6288	NPC474314
Remote Similarity	0.627	NPC52472
Remote Similarity	0.6269	NPC306740
Remote Similarity	0.6269	NPC81808
Remote Similarity	0.6269	NPC186933
Remote Similarity	0.6266	NPC123241
Remote Similarity	0.6266	NPC61013
Remote Similarity	0.6259	NPC39818
Remote Similarity	0.6259	NPC27581
Remote Similarity	0.6257	NPC473815
Remote Similarity	0.625	NPC141454
Remote Similarity	0.625	NPC253667
Remote Similarity	0.625	NPC35510
Remote Similarity	0.625	NPC31786
Remote Similarity	0.625	NPC88970
Remote Similarity	0.625	NPC114594
Remote Similarity	0.625	NPC288305
Remote Similarity	0.6242	NPC248862
Remote Similarity	0.6242	NPC238108
Remote Similarity	0.6242	NPC328611
Remote Similarity	0.6241	NPC272524
Remote Similarity	0.6241	NPC325013
Remote Similarity	0.6235	NPC41717

Drug Structure

External Identifiers

TTD
DrugBank	DB02362
ChEMBL	CHEMBL542
IUPHAR/BPS
PharmaGKB
KEGG Drug	D02456
PubChem CID
ChEBI	30753
CAS Number	150-13-0

Drug Properties

Molecular Weight	137.05
ALogP	-0.9897
MLogP	1.9
XLogP	1.003
HDA	3
HBD	2
Rotatable Bonds	3
TPSA	63.32
RO5 Violation	0