NPASS drugs

Drug Information

Drug ID:	NPD7371
Drug Name:	Glycine
Molecular Formula:	C2H5NO2
Canonical SMILES:	NCC(=O)O
Standard InCHI:	InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
Standard InCHIKey:	DHMQDGOQFOQNFH-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD7371

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	9747
0.1-0.2	18544
0.2-0.3	1874
0.3-0.4	433
0.4-0.5	164
0.5-0.6	76
0.6-0.7	37
0.7-0.8	13
0.8-0.85	1
0.85-0.9	0
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	1.0	NPC126681
Intermediate Similarity	0.8125	NPC134570
Intermediate Similarity	0.7879	NPC116709
Intermediate Similarity	0.7879	NPC21290
Intermediate Similarity	0.7879	NPC272614
Intermediate Similarity	0.7647	NPC63621
Intermediate Similarity	0.7647	NPC69179
Intermediate Similarity	0.7647	NPC216443
Intermediate Similarity	0.75	NPC114517
Intermediate Similarity	0.7027	NPC53449
Intermediate Similarity	0.7027	NPC121517
Intermediate Similarity	0.7027	NPC326992
Intermediate Similarity	0.7027	NPC326212
Intermediate Similarity	0.7027	NPC237525
Intermediate Similarity	0.7027	NPC168375
Remote Similarity	0.697	NPC260324
Remote Similarity	0.6842	NPC326808
Remote Similarity	0.6842	NPC219143
Remote Similarity	0.6842	NPC226265
Remote Similarity	0.6842	NPC254482
Remote Similarity	0.6842	NPC110533
Remote Similarity	0.6842	NPC317691
Remote Similarity	0.6667	NPC291186
Remote Similarity	0.6667	NPC167986
Remote Similarity	0.6667	NPC230597
Remote Similarity	0.65	NPC126925
Remote Similarity	0.65	NPC198301
Remote Similarity	0.65	NPC325097
Remote Similarity	0.65	NPC40511
Remote Similarity	0.65	NPC132307
Remote Similarity	0.6486	NPC18188
Remote Similarity	0.6389	NPC9294
Remote Similarity	0.6341	NPC329263
Remote Similarity	0.6341	NPC285322
Remote Similarity	0.6341	NPC327698
Remote Similarity	0.6341	NPC208793
Remote Similarity	0.6341	NPC118459
Remote Similarity	0.6333	NPC262962
Remote Similarity	0.619	NPC185755
Remote Similarity	0.619	NPC297220
Remote Similarity	0.619	NPC309658
Remote Similarity	0.619	NPC136476
Remote Similarity	0.619	NPC213876
Remote Similarity	0.619	NPC228932
Remote Similarity	0.619	NPC49952
Remote Similarity	0.6176	NPC59650
Remote Similarity	0.6154	NPC66043
Remote Similarity	0.6047	NPC181588
Remote Similarity	0.6047	NPC136159
Remote Similarity	0.6047	NPC204364
Remote Similarity	0.6047	NPC316168
Remote Similarity	0.6047	NPC118187
Remote Similarity	0.5926	NPC68873
Remote Similarity	0.5909	NPC318523
Remote Similarity	0.5909	NPC153370
Remote Similarity	0.5909	NPC93081
Remote Similarity	0.5909	NPC140872
Remote Similarity	0.5897	NPC274550
Remote Similarity	0.5897	NPC327250
Remote Similarity	0.5854	NPC276294
Remote Similarity	0.5814	NPC195448
Remote Similarity	0.5778	NPC152451
Remote Similarity	0.5778	NPC270805
Remote Similarity	0.5778	NPC324825
Remote Similarity	0.5778	NPC245027
Remote Similarity	0.5778	NPC286989
Remote Similarity	0.5778	NPC328378
Remote Similarity	0.5778	NPC93888
Remote Similarity	0.5778	NPC316231
Remote Similarity	0.5778	NPC43204
Remote Similarity	0.5778	NPC174246
Remote Similarity	0.5778	NPC193989
Remote Similarity	0.5778	NPC226027
Remote Similarity	0.5778	NPC84636
Remote Similarity	0.5778	NPC170739
Remote Similarity	0.5778	NPC162620
Remote Similarity	0.5778	NPC112890
Remote Similarity	0.5778	NPC62045
Remote Similarity	0.5714	NPC323974
Remote Similarity	0.5682	NPC101249
Remote Similarity	0.5652	NPC319175
Remote Similarity	0.5652	NPC125736
Remote Similarity	0.5652	NPC137958
Remote Similarity	0.5652	NPC315977
Remote Similarity	0.5652	NPC114990
Remote Similarity	0.5652	NPC273330

Drug Structure

External Identifiers

TTD	DAP000288
DrugBank	DB00145
ChEMBL	CHEMBL773
IUPHAR/BPS
PharmaGKB	PA449789
KEGG Drug	D00011
PubChem CID	750
ChEBI	15428
CAS Number	56-40-6

Drug Properties

Molecular Weight	75.03
ALogP	-1.1915
MLogP	1.35
XLogP	-3.35
HDA	3
HBD	2
Rotatable Bonds	3
TPSA	63.32
RO5 Violation	0