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DocumentationIdentifier: MM63071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63071 |
| SMILES |
C#CC(CC#CCN)NC
|
| InChIKey |
LEJNBRFKXXMEAT-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199721
Similarity: 0.8621
Similarity to MM199721
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409154
Similarity: 0.828
Similarity to MM409154
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9059 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375933
Similarity: 0.7667
Similarity to MM375933
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8679 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
