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

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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

Showing 1 to 10 of 86 entries

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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