NPASS drugs

Drug Information

Drug ID:	NPD8950
Drug Name:	Piracetam
Molecular Formula:	C6H10N2O2
Canonical SMILES:	OC(=N)CN1CCCC1=O
Standard InCHI:	InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)
Standard InCHIKey:	GMZVRMREEHBGGF-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8950

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	3400
0.1-0.2	22384
0.2-0.3	3856
0.3-0.4	850
0.4-0.5	320
0.5-0.6	66
0.6-0.7	12
0.7-0.8	1
0.8-0.85	1
0.85-0.9	0
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
Intermediate Similarity	0.82	NPC204607
Intermediate Similarity	0.7391	NPC234196
Remote Similarity	0.6452	NPC243964
Remote Similarity	0.6406	NPC287693
Remote Similarity	0.6406	NPC128005
Remote Similarity	0.6406	NPC84182
Remote Similarity	0.6176	NPC214532
Remote Similarity	0.6176	NPC196007
Remote Similarity	0.6176	NPC76297
Remote Similarity	0.6119	NPC322274
Remote Similarity	0.6	NPC209156
Remote Similarity	0.6	NPC256312
Remote Similarity	0.6	NPC266888
Remote Similarity	0.6	NPC161774
Remote Similarity	0.5972	NPC59867
Remote Similarity	0.5942	NPC470781
Remote Similarity	0.5775	NPC126186
Remote Similarity	0.5775	NPC320221
Remote Similarity	0.5758	NPC262615
Remote Similarity	0.5714	NPC34838
Remote Similarity	0.5714	NPC292299
Remote Similarity	0.5694	NPC327272
Remote Similarity	0.5658	NPC475542
Remote Similarity	0.5625	NPC263207
Remote Similarity	0.5616	NPC470782
Remote Similarity	0.56	NPC312315

Drug Structure

External Identifiers

TTD	DIB002956
DrugBank	DB09210
ChEMBL	CHEMBL36715
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	4843
ChEBI	32010
CAS Number	7491-74-9

Drug Properties

Molecular Weight	142.07
ALogP	-1.1598
MLogP	1.68
XLogP	-0.382
HDA	4
HBD	2
Rotatable Bonds	3
TPSA	64.39
RO5 Violation	0