NPASS drugs

Drug Information

Drug ID:	NPD955
Drug Name:	Phenyl Aminosalicylate
Molecular Formula:	C13H11NO3
Canonical SMILES:	Nc1ccc(c(c1)O)C(=O)Oc1ccccc1
Standard InCHI:	InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
Standard InCHIKey:	DNVVZWSVACQWJE-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD955

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	244
0.1-0.2	1682
0.2-0.3	5343
0.3-0.4	7085
0.4-0.5	3787
0.5-0.6	9672
0.6-0.7	3029
0.7-0.8	47
0.8-0.85	0
0.85-0.9	1
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
High Similarity	0.8859	NPC301702
Intermediate Similarity	0.7871	NPC316574
Intermediate Similarity	0.7849	NPC9475
Intermediate Similarity	0.7658	NPC181526
Intermediate Similarity	0.7553	NPC313112
Intermediate Similarity	0.7553	NPC301292
Intermediate Similarity	0.754	NPC288759
Intermediate Similarity	0.7517	NPC150323
Intermediate Similarity	0.7483	NPC311219
Intermediate Similarity	0.7469	NPC323798
Intermediate Similarity	0.7451	NPC4164
Intermediate Similarity	0.7386	NPC193805
Intermediate Similarity	0.7356	NPC471778
Intermediate Similarity	0.7337	NPC114039
Intermediate Similarity	0.7337	NPC206109
Intermediate Similarity	0.7285	NPC233282
Intermediate Similarity	0.7273	NPC17760
Intermediate Similarity	0.7267	NPC199737
Intermediate Similarity	0.7263	NPC15987
Intermediate Similarity	0.7239	NPC13696
Intermediate Similarity	0.7229	NPC315829
Intermediate Similarity	0.7225	NPC204867
Intermediate Similarity	0.7222	NPC288305
Intermediate Similarity	0.72	NPC174760
Intermediate Similarity	0.7196	NPC241263
Intermediate Similarity	0.7188	NPC287533
Intermediate Similarity	0.7171	NPC230951
Intermediate Similarity	0.7168	NPC475983
Intermediate Similarity	0.7161	NPC205946
Intermediate Similarity	0.7152	NPC238309
Intermediate Similarity	0.7151	NPC127082
Intermediate Similarity	0.7113	NPC198160
Intermediate Similarity	0.7107	NPC12694
Intermediate Similarity	0.7085	NPC3207
Intermediate Similarity	0.7055	NPC319645
Intermediate Similarity	0.7044	NPC197425
Intermediate Similarity	0.7039	NPC94637
Intermediate Similarity	0.7035	NPC176113
Intermediate Similarity	0.7035	NPC116238
Intermediate Similarity	0.7025	NPC22783
Intermediate Similarity	0.7025	NPC122235
Intermediate Similarity	0.7022	NPC112336
Intermediate Similarity	0.7022	NPC474814
Intermediate Similarity	0.702	NPC128825
Intermediate Similarity	0.7012	NPC314252
Intermediate Similarity	0.7	NPC8467
Intermediate Similarity	0.7	NPC115998
Intermediate Similarity	0.7	NPC39753
Remote Similarity	0.6993	NPC90522
Remote Similarity	0.6993	NPC328459
Remote Similarity	0.6987	NPC226794
Remote Similarity	0.6987	NPC93730
Remote Similarity	0.6983	NPC73280
Remote Similarity	0.6978	NPC98416
Remote Similarity	0.6978	NPC298320
Remote Similarity	0.6974	NPC217423
Remote Similarity	0.6974	NPC45104
Remote Similarity	0.697	NPC332594
Remote Similarity	0.697	NPC218303
Remote Similarity	0.6966	NPC473196
Remote Similarity	0.6965	NPC169402
Remote Similarity	0.6963	NPC234933
Remote Similarity	0.6957	NPC137264
Remote Similarity	0.6954	NPC477825
Remote Similarity	0.6954	NPC188907
Remote Similarity	0.6952	NPC474059
Remote Similarity	0.6948	NPC130931
Remote Similarity	0.6948	NPC474874
Remote Similarity	0.6948	NPC72977
Remote Similarity	0.694	NPC327005
Remote Similarity	0.6937	NPC314098
Remote Similarity	0.6935	NPC116178
Remote Similarity	0.6933	NPC57601
Remote Similarity	0.6931	NPC247803
Remote Similarity	0.6928	NPC32298
Remote Similarity	0.6928	NPC229353
Remote Similarity	0.6919	NPC474366
Remote Similarity	0.6918	NPC71525
Remote Similarity	0.6915	NPC1820
Remote Similarity	0.6915	NPC475411
Remote Similarity	0.6915	NPC28510
Remote Similarity	0.6914	NPC113006
Remote Similarity	0.6909	NPC242933
Remote Similarity	0.69	NPC217903
Remote Similarity	0.69	NPC321166
Remote Similarity	0.6899	NPC314278
Remote Similarity	0.6894	NPC7569
Remote Similarity	0.6894	NPC278787
Remote Similarity	0.6893	NPC299582
Remote Similarity	0.689	NPC172262
Remote Similarity	0.689	NPC43218
Remote Similarity	0.6884	NPC87413
Remote Similarity	0.6883	NPC35744
Remote Similarity	0.6883	NPC54243
Remote Similarity	0.6871	NPC128216
Remote Similarity	0.6868	NPC315631
Remote Similarity	0.6863	NPC150239
Remote Similarity	0.6854	NPC471652
Remote Similarity	0.6852	NPC141549
Remote Similarity	0.685	NPC477827
Remote Similarity	0.685	NPC477826
Remote Similarity	0.6848	NPC9985
Remote Similarity	0.6848	NPC239495
Remote Similarity	0.6845	NPC220106
Remote Similarity	0.6835	NPC6888
Remote Similarity	0.6835	NPC91475
Remote Similarity	0.6835	NPC265910
Remote Similarity	0.6832	NPC473019
Remote Similarity	0.6832	NPC187907
Remote Similarity	0.6829	NPC50898
Remote Similarity	0.6829	NPC274121
Remote Similarity	0.6829	NPC213216
Remote Similarity	0.6829	NPC78540
Remote Similarity	0.681	NPC307289
Remote Similarity	0.6807	NPC318028
Remote Similarity	0.6807	NPC241086
Remote Similarity	0.6807	NPC282087
Remote Similarity	0.6807	NPC317741
Remote Similarity	0.6807	NPC240593
Remote Similarity	0.6807	NPC318984
Remote Similarity	0.6807	NPC259800
Remote Similarity	0.6807	NPC328137
Remote Similarity	0.6805	NPC105648
Remote Similarity	0.6797	NPC33717
Remote Similarity	0.679	NPC307732
Remote Similarity	0.679	NPC42292
Remote Similarity	0.6788	NPC248872
Remote Similarity	0.6786	NPC254994
Remote Similarity	0.6774	NPC264976
Remote Similarity	0.6769	NPC232600
Remote Similarity	0.6766	NPC266597
Remote Similarity	0.6766	NPC290291
Remote Similarity	0.6766	NPC305542
Remote Similarity	0.6766	NPC254841
Remote Similarity	0.6766	NPC188879
Remote Similarity	0.6766	NPC228661
Remote Similarity	0.6766	NPC250266
Remote Similarity	0.6766	NPC275055
Remote Similarity	0.6766	NPC476480
Remote Similarity	0.6766	NPC84585
Remote Similarity	0.6766	NPC299379
Remote Similarity	0.6765	NPC36181
Remote Similarity	0.6755	NPC469830
Remote Similarity	0.6752	NPC314329
Remote Similarity	0.6747	NPC223616
Remote Similarity	0.6744	NPC153758
Remote Similarity	0.6744	NPC154217
Remote Similarity	0.6734	NPC39679
Remote Similarity	0.6733	NPC30749
Remote Similarity	0.6733	NPC141068
Remote Similarity	0.673	NPC89630
Remote Similarity	0.673	NPC227033
Remote Similarity	0.673	NPC229113
Remote Similarity	0.673	NPC107846
Remote Similarity	0.6726	NPC188947
Remote Similarity	0.6726	NPC329225
Remote Similarity	0.6726	NPC147686
Remote Similarity	0.6726	NPC99333
Remote Similarity	0.6726	NPC280284
Remote Similarity	0.6726	NPC472460
Remote Similarity	0.6726	NPC124269
Remote Similarity	0.6726	NPC18457
Remote Similarity	0.6725	NPC66404
Remote Similarity	0.6725	NPC94794
Remote Similarity	0.6725	NPC470296
Remote Similarity	0.6725	NPC196459
Remote Similarity	0.6725	NPC87609
Remote Similarity	0.6725	NPC470216
Remote Similarity	0.6725	NPC188632
Remote Similarity	0.6725	NPC112791
Remote Similarity	0.6725	NPC95123
Remote Similarity	0.6722	NPC470971
Remote Similarity	0.6716	NPC295479
Remote Similarity	0.6716	NPC477828
Remote Similarity	0.6716	NPC220241
Remote Similarity	0.6711	NPC100551
Remote Similarity	0.6708	NPC264428
Remote Similarity	0.6708	NPC181715
Remote Similarity	0.6707	NPC231772
Remote Similarity	0.6707	NPC308037
Remote Similarity	0.6707	NPC473887
Remote Similarity	0.6707	NPC281917
Remote Similarity	0.6707	NPC313618
Remote Similarity	0.6707	NPC29353
Remote Similarity	0.6707	NPC197239
Remote Similarity	0.6707	NPC116775
Remote Similarity	0.6707	NPC64359
Remote Similarity	0.6707	NPC160747
Remote Similarity	0.6707	NPC234133
Remote Similarity	0.6707	NPC216361
Remote Similarity	0.6707	NPC13408
Remote Similarity	0.6707	NPC47815
Remote Similarity	0.6707	NPC187432
Remote Similarity	0.6707	NPC127447
Remote Similarity	0.6707	NPC124784
Remote Similarity	0.6707	NPC326860
Remote Similarity	0.6707	NPC262359
Remote Similarity	0.6707	NPC256042
Remote Similarity	0.6707	NPC194281
Remote Similarity	0.6705	NPC180477

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	229.07
ALogP	-1.3013
MLogP	2.45
XLogP	3.887
HDA	2
HBD	2
Rotatable Bonds	5
TPSA	72.55
RO5 Violation	0