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DocumentationIdentifier: MM58756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58756 |
| SMILES |
C#CC(F)C(C)(O)CCO
|
| InChIKey |
RTDXDYOMXWWDSL-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137589
Similarity: 0.7582
Similarity to MM137589
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8625 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58720
Similarity: 0.6927
Similarity to MM58720
| Tanimoto metric | 0.6927 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8185 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40438
Similarity: 0.6797
Similarity to MM40438
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8093 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
