Selegiline Hydrochloride
General | |
Identifier | MM16594 |
SMILES |
C#CCN(C)C(C)Cc1ccccc1
|
InChIKey |
MEZLKOACVSPNER-UHFFFAOYSA-N
|
MW [Da] |
187.29
Automatically obtained from RDkit software. |
LogP |
2.18
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Tanimoto metric | 1 |
---|---|
Cosine metric | 1 |
Dice metric | 1 |
MW: | 187.29 |
||||
---|---|---|---|---|---|
PI: | 4
Total passive interactions
|
LogP: | 2.18 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Tanimoto metric | 0.8273 |
---|---|
Cosine metric | 0.9096 |
Dice metric | 0.9055 |
MW: | 205.28 |
||||
---|---|---|---|---|---|
PI: | 4
Total passive interactions
|
LogP: | 2.32 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Tanimoto metric | 0.568 |
---|---|
Cosine metric | 0.7536 |
Dice metric | 0.7245 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.58 |
||||
---|---|---|---|---|---|
AI: | 6
Total active interactions
|