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DocumentationIdentifier: MM312141
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312141 |
| SMILES |
N#CC(F)(C#N)C#CCF
|
| InChIKey |
MHKXVMFRQIVRAB-UHFFFAOYSA-N
|
| MW [Da] |
140.09
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139084
Similarity: 0.866
Similarity to MM139084
| Tanimoto metric | 0.866 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 129.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139800
Similarity: 0.8454
Similarity to MM139800
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312133
Similarity: 0.7636
Similarity to MM312133
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.866 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
