NPASS drugs

Drug Information

Drug ID:	NPD8830
Drug Name:	Uric Acid
Molecular Formula:	C5H4N4O3
Canonical SMILES:	Oc1nc(O)c2c(n1)[nH]c(n2)O
Standard InCHI:	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Standard InCHIKey:	LEHOTFFKMJEONL-UHFFFAOYSA-N
Max Developmental Stage:	Phase 3
Max Developmental Stage Source:	DrugBank

Structural Similarity Between NPASS Natural Products and NPD8830

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	11251
0.1-0.2	16061
0.2-0.3	2085
0.3-0.4	1228
0.4-0.5	113
0.5-0.6	96
0.6-0.7	43
0.7-0.8	8
0.8-0.85	0
0.85-0.9	2
0.9-0.95	2
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	NPC5707
High Similarity	0.925	NPC287876
High Similarity	0.9167	NPC14330
High Similarity	0.8739	NPC139776
High Similarity	0.8525	NPC248007
Intermediate Similarity	0.7899	NPC312187
Intermediate Similarity	0.7899	NPC4837
Intermediate Similarity	0.7719	NPC320256
Intermediate Similarity	0.7479	NPC476564
Intermediate Similarity	0.7368	NPC246193
Intermediate Similarity	0.7333	NPC18335
Intermediate Similarity	0.7007	NPC57279
Intermediate Similarity	0.7	NPC293163
Remote Similarity	0.6967	NPC59314
Remote Similarity	0.6933	NPC52238
Remote Similarity	0.6911	NPC476562
Remote Similarity	0.6887	NPC313754
Remote Similarity	0.6887	NPC54320
Remote Similarity	0.6887	NPC311197
Remote Similarity	0.6803	NPC87981
Remote Similarity	0.6803	NPC174114
Remote Similarity	0.6718	NPC189314
Remote Similarity	0.6718	NPC68938
Remote Similarity	0.6667	NPC41958
Remote Similarity	0.6582	NPC261595
Remote Similarity	0.6541	NPC321458
Remote Similarity	0.6541	NPC324033
Remote Similarity	0.6489	NPC313547
Remote Similarity	0.648	NPC476561
Remote Similarity	0.6383	NPC104011
Remote Similarity	0.6327	NPC317821
Remote Similarity	0.6303	NPC164845
Remote Similarity	0.6299	NPC10466
Remote Similarity	0.6296	NPC158847
Remote Similarity	0.6259	NPC129756
Remote Similarity	0.625	NPC476099
Remote Similarity	0.6241	NPC199790
Remote Similarity	0.6225	NPC164665
Remote Similarity	0.6222	NPC240084
Remote Similarity	0.6207	NPC321929
Remote Similarity	0.619	NPC33996
Remote Similarity	0.6169	NPC150853
Remote Similarity	0.6159	NPC107374
Remote Similarity	0.6159	NPC21448
Remote Similarity	0.6159	NPC156461
Remote Similarity	0.6133	NPC229974
Remote Similarity	0.6118	NPC189068
Remote Similarity	0.6107	NPC209525
Remote Similarity	0.6107	NPC161659
Remote Similarity	0.6078	NPC219313
Remote Similarity	0.6078	NPC309832
Remote Similarity	0.6078	NPC269827
Remote Similarity	0.6077	NPC119133
Remote Similarity	0.6026	NPC314152
Remote Similarity	0.6014	NPC327579
Remote Similarity	0.6	NPC136349
Remote Similarity	0.5924	NPC185991
Remote Similarity	0.5924	NPC211025
Remote Similarity	0.5924	NPC85689
Remote Similarity	0.5912	NPC248627
Remote Similarity	0.5886	NPC472816
Remote Similarity	0.5886	NPC328479
Remote Similarity	0.5886	NPC321814
Remote Similarity	0.587	NPC278549
Remote Similarity	0.5858	NPC313897
Remote Similarity	0.5854	NPC290449
Remote Similarity	0.5849	NPC302778
Remote Similarity	0.5849	NPC164952
Remote Similarity	0.5849	NPC130586
Remote Similarity	0.5849	NPC212551
Remote Similarity	0.5846	NPC75844
Remote Similarity	0.5839	NPC148385
Remote Similarity	0.5839	NPC239737
Remote Similarity	0.5833	NPC121222
Remote Similarity	0.5833	NPC163105
Remote Similarity	0.5813	NPC174802
Remote Similarity	0.5802	NPC195140
Remote Similarity	0.5786	NPC252603
Remote Similarity	0.5776	NPC224076
Remote Similarity	0.5746	NPC27699
Remote Similarity	0.5741	NPC226245
Remote Similarity	0.5741	NPC316618
Remote Similarity	0.5741	NPC93365
Remote Similarity	0.5725	NPC63433
Remote Similarity	0.5723	NPC161224
Remote Similarity	0.5706	NPC313514
Remote Similarity	0.5687	NPC207633
Remote Similarity	0.5669	NPC51000
Remote Similarity	0.5662	NPC329046
Remote Similarity	0.5638	NPC324009
Remote Similarity	0.56	NPC319221

Drug Structure

External Identifiers

TTD
DrugBank	DB08844
ChEMBL	CHEMBL792
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI	17775
CAS Number	69-93-2

Drug Properties

Molecular Weight	168.03
ALogP	-1.8013
MLogP	1.24
XLogP	-1.533
HDA	4
HBD	4
Rotatable Bonds	3
TPSA	115.15
RO5 Violation	0