NPASS drugs

Drug Information

Drug ID:	NPD294
Drug Name:	Phentermine
Molecular Formula:	C10H15N
Canonical SMILES:	CC(Cc1ccccc1)(N)C
Standard InCHI:	InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
Standard InCHIKey:	DHHVAGZRUROJKS-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD294

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	176
0.1-0.2	2676
0.2-0.3	9419
0.3-0.4	13340
0.4-0.5	4100
0.5-0.6	854
0.6-0.7	227
0.7-0.8	76
0.8-0.85	13
0.85-0.9	4
0.9-0.95	5
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

Show entries

Search:

Similarity Level	Similarity Score	Natural Product ID
High Similarity	0.9143	NPC113000
High Similarity	0.9143	NPC122327
High Similarity	0.9143	NPC112609
High Similarity	0.9028	NPC290638
High Similarity	0.9014	NPC276699
High Similarity	0.8986	NPC229235
High Similarity	0.8767	NPC98269
High Similarity	0.8767	NPC325662
High Similarity	0.863	NPC139658
Intermediate Similarity	0.8194	NPC219246

Showing 1 to 10 of 200 entries

Previous1 2 3 4 5…20Next

Drug Structure

External Identifiers

TTD	DAP000719
DrugBank	DB00191
ChEMBL	CHEMBL1574
IUPHAR/BPS	7269
PharmaGKB	PA164748099
KEGG Drug	D05458
PubChem CID	4771
ChEBI	8080
CAS Number	122-09-8

Drug Properties

Molecular Weight	149.12
ALogP	0.1654
MLogP	2.45
XLogP	3.999
HDA	1
HBD	1
Rotatable Bonds	5
TPSA	26.02
RO5 Violation	0