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DocumentationIdentifier: MM312293
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312293 |
| SMILES |
C#CC(F)(C#C)C#CCN
|
| InChIKey |
BRBOMVUTFFAQOE-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM139138
Similarity: 0.9294
Similarity to MM139138
| Tanimoto metric | 0.9294 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9634 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234476
Similarity: 0.8495
Similarity to MM234476
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9186 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241610
Similarity: 0.767
Similarity to MM241610
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8681 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
