NPASS drugs

Drug Information

Drug ID:	NPD8605
Drug Name:	Tartaric Acid
Molecular Formula:	C4H6O6
Canonical SMILES:	O[C@@H]([C@@H](C(=O)O)O)C(=O)O
Standard InCHI:	"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1"
Standard InCHIKey:	FEWJPZIEWOKRBE-LWMBPPNESA-N
Max Developmental Stage:	Phase 4
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8605

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	175976
0.1-0.2	31500
0.2-0.3	3498
0.3-0.4	512
0.4-0.5	148
0.5-0.6	28
0.6-0.7	31
0.7-0.8	6
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	4

Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC100742
High Similarity	1.0	NPC97444
High Similarity	1.0	NPC24751
High Similarity	1.0	NPC600047
Intermediate Similarity	0.7857	NPC307739
Intermediate Similarity	0.7857	NPC76217
Intermediate Similarity	0.7857	NPC178595
Intermediate Similarity	0.7857	NPC607709
Intermediate Similarity	0.7857	NPC609616
Intermediate Similarity	0.7857	NPC611841
Remote Similarity	0.6875	NPC88579
Remote Similarity	0.6875	NPC216980
Remote Similarity	0.6875	NPC319132
Remote Similarity	0.6875	NPC3525
Remote Similarity	0.6667	NPC212144
Remote Similarity	0.6471	NPC717
Remote Similarity	0.6471	NPC321766
Remote Similarity	0.6471	NPC222792
Remote Similarity	0.6471	NPC5505
Remote Similarity	0.6471	NPC320275
Remote Similarity	0.6471	NPC316217
Remote Similarity	0.6471	NPC64777
Remote Similarity	0.6471	NPC230995
Remote Similarity	0.6471	NPC575868
Remote Similarity	0.6471	NPC602868
Remote Similarity	0.6471	NPC603429
Remote Similarity	0.6316	NPC185339
Remote Similarity	0.6111	NPC141509
Remote Similarity	0.6111	NPC19044
Remote Similarity	0.6111	NPC196612
Remote Similarity	0.6111	NPC51260
Remote Similarity	0.6111	NPC232680
Remote Similarity	0.6111	NPC303712
Remote Similarity	0.6111	NPC3357
Remote Similarity	0.6111	NPC192402
Remote Similarity	0.6111	NPC600708
Remote Similarity	0.6111	NPC604016
Remote Similarity	0.6111	NPC606288
Remote Similarity	0.6	NPC165122
Remote Similarity	0.6	NPC574747
Remote Similarity	0.6	NPC611377
Remote Similarity	0.5789	NPC328367
Remote Similarity	0.5789	NPC35661
Remote Similarity	0.5789	NPC324626
Remote Similarity	0.5789	NPC89161
Remote Similarity	0.5789	NPC325302
Remote Similarity	0.5789	NPC111138
Remote Similarity	0.5789	NPC39289
Remote Similarity	0.5789	NPC499658
Remote Similarity	0.5789	NPC557693
Remote Similarity	0.5625	NPC159089
Remote Similarity	0.5625	NPC321840
Remote Similarity	0.5556	NPC321991
Remote Similarity	0.5556	NPC170339
Remote Similarity	0.5556	NPC118452
Remote Similarity	0.55	NPC43169
Remote Similarity	0.55	NPC214962
Remote Similarity	0.55	NPC251825
Remote Similarity	0.55	NPC319680
Remote Similarity	0.55	NPC327895
Remote Similarity	0.55	NPC112224
Remote Similarity	0.55	NPC69289
Remote Similarity	0.55	NPC325748
Remote Similarity	0.55	NPC607893
Remote Similarity	0.55	NPC602393
Remote Similarity	0.55	NPC604906
Remote Similarity	0.55	NPC609420
Remote Similarity	0.5263	NPC161894
Remote Similarity	0.5238	NPC604882

Drug Structure

External Identifiers

TTD
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	0
ChEBI
CAS Number

Drug Properties

Molecular Weight	150.02
ALogP	-1.7144
MLogP	1.24
XLogP	-2.238
HDA	6
HBD	4
Rotatable Bonds	7
TPSA	115.06
RO5 Violation	0