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DocumentationIdentifier: MM328268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328268 |
| SMILES |
C#CC(C)CC(C#C)C#N
|
| InChIKey |
NPFRTVNHARIECM-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149852
Similarity: 0.9014
Similarity to MM149852
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199386
Similarity: 0.9014
Similarity to MM199386
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328215
Similarity: 0.8933
Similarity to MM328215
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
