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DocumentationIdentifier: MM139808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139808 |
| SMILES |
C#CC(F)(C#C)C#CC
|
| InChIKey |
HHMAKEDHPRCWDN-UHFFFAOYSA-N
|
| MW [Da] |
120.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103236
Similarity: 0.9016
Similarity to MM103236
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132538
Similarity: 0.8209
Similarity to MM132538
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9016 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312291
Similarity: 0.8026
Similarity to MM312291
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
