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DocumentationIdentifier: MM234476
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234476 |
| SMILES |
CC#CC(C)(F)C#CCN
|
| InChIKey |
XSRMYOGGZSRJSL-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139138
Similarity: 0.908
Similarity to MM139138
| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312293
Similarity: 0.8495
Similarity to MM312293
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9186 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241610
Similarity: 0.7524
Similarity to MM241610
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8587 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
