Drug Information

Drug ID:  NPD871
Drug Name:  Memantine Hydrochloride
Molecular Formula:  C12H21N.ClH
Canonical SMILES:  CC12CC3CC(C1)(C)CC(C2)(C3)N.Cl
Standard InCHI:  InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H
Standard InCHIKey:  LDDHMLJTFXJGPI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD871

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 0.6792 NPC212905
Remote Similarity 0.6667 NPC53276
Remote Similarity 0.66 NPC181141
Remote Similarity 0.6557 NPC469970
Remote Similarity 0.6415 NPC472829
Remote Similarity 0.6316 NPC318036
Remote Similarity 0.6271 NPC21781
Remote Similarity 0.625 NPC271640
Remote Similarity 0.623 NPC475755
Remote Similarity 0.623 NPC474027
Remote Similarity 0.623 NPC474435
Remote Similarity 0.6207 NPC173815
Remote Similarity 0.6102 NPC324944
Remote Similarity 0.6071 NPC472828
Remote Similarity 0.6 NPC152211
Remote Similarity 0.6 NPC28755
Remote Similarity 0.597 NPC110615
Remote Similarity 0.5902 NPC317778
Remote Similarity 0.5789 NPC475272
Remote Similarity 0.5789 NPC474416
Remote Similarity 0.5758 NPC476288
Remote Similarity 0.5714 NPC89921
Remote Similarity 0.5714 NPC7777
Remote Similarity 0.5692 NPC474456
Remote Similarity 0.5672 NPC184919
Remote Similarity 0.5672 NPC138409
Remote Similarity 0.5634 NPC25110
Remote Similarity 0.5625 NPC476682

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  179.17
ALogP  1.0069
MLogP  2.67
XLogP  3.524
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  26.02
RO5 Violation  0