Drug Information

Drug ID:  NPD346
Drug Name:  Amantadine Hydrochloride
Molecular Formula:  C10H17N.ClH
Canonical SMILES:  NC12CC3CC(C2)CC(C1)C3.Cl
Standard InCHI:  InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H
Standard InCHIKey:  WOLHOYHSEKDWQH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD346

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.


  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
Remote Similarity 0.6863 NPC212905
Remote Similarity 0.6364 NPC318036
Remote Similarity 0.625 NPC173815
Remote Similarity 0.6167 NPC53276
Remote Similarity 0.6154 NPC7777
Remote Similarity 0.614 NPC324944
Remote Similarity 0.6066 NPC469970
Remote Similarity 0.6 NPC181141
Remote Similarity 0.5932 NPC317778
Remote Similarity 0.5849 NPC472829
Remote Similarity 0.5781 NPC271640
Remote Similarity 0.5763 NPC21781
Remote Similarity 0.575 NPC133792
Remote Similarity 0.5738 NPC89921
Remote Similarity 0.5738 NPC474027
Remote Similarity 0.5738 NPC474435
Remote Similarity 0.5738 NPC475755

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  151.14
ALogP  -1.5787
MLogP  2.45
XLogP  2.312
HDA  1
HBD  1
Rotatable Bonds  1
TPSA  26.02
RO5 Violation  0