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DocumentationIdentifier: MM241594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241594 |
| SMILES |
C#CCC#CC(C)(F)C#N
|
| InChIKey |
SUVRJXSMUOUZBZ-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139082
Similarity: 0.866
Similarity to MM139082
| Tanimoto metric | 0.866 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228551
Similarity: 0.8
Similarity to MM228551
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8889 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312230
Similarity: 0.7778
Similarity to MM312230
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.875 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
