Drug Information

Drug ID:  NPD293
Drug Name:  Methamphetamine Hydrochloride
Molecular Formula:  C10H15N.ClH
Canonical SMILES:  CN[C@H](Cc1ccccc1)C.Cl
Standard InCHI:  "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1"
Standard InCHIKey:  TWXDDNPPQUTEOV-FVGYRXGTSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD293

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.


  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 0.9545 NPC581920
High Similarity 0.9545 NPC608468
Remote Similarity 0.64 NPC112609
Remote Similarity 0.64 NPC515509
Remote Similarity 0.64 NPC599831
Remote Similarity 0.64 NPC612027
Remote Similarity 0.5806 NPC534707
Remote Similarity 0.5806 NPC541757
Remote Similarity 0.5517 NPC562106
Remote Similarity 0.5517 NPC601867
Remote Similarity 0.5294 NPC561991
Remote Similarity 0.5217 NPC65873
Remote Similarity 0.5217 NPC155369

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  149.12
ALogP  -0.2548
MLogP  2.45
XLogP  3.972
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  12.03
RO5 Violation  0