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DocumentationIdentifier: MM111605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111605 |
| SMILES |
C#CC(F)C(C)CO
|
| InChIKey |
CHBZHQBIJRQHPQ-UHFFFAOYSA-N
|
| MW [Da] |
116.14
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196915
Similarity: 0.8734
Similarity to MM196915
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174568
Similarity: 0.7582
Similarity to MM174568
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197074
Similarity: 0.7263
Similarity to MM197074
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
