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DocumentationIdentifier: MM242712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242712 |
| SMILES |
CC#CC(=O)C(C)(F)C#N
|
| InChIKey |
HCMJJGVCZASHGR-UHFFFAOYSA-N
|
| MW [Da] |
139.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41733
Similarity: 0.8037
Similarity to MM41733
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76960
Similarity: 0.7238
Similarity to MM76960
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8397 |
| MW: | 136.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174696
Similarity: 0.6748
Similarity to MM174696
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8059 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
