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DocumentationIdentifier: MM73760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73760 |
| SMILES |
CC(F)C(=O)CC#CCO
|
| InChIKey |
BVQLZRJSFZZYHR-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163094
Similarity: 0.8257
Similarity to MM163094
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305510
Similarity: 0.7258
Similarity to MM305510
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8411 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15593
Similarity: 0.6422
Similarity to MM15593
| Tanimoto metric | 0.6422 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7821 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
