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DocumentationIdentifier: MM59449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59449 |
| SMILES |
CC(=O)C(C)(F)C#CCO
|
| InChIKey |
LOJYAAQCVXUXLF-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
MM132869
Similarity: 0.8
Similarity to MM132869
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235598
Similarity: 0.7076
Similarity to MM235598
| Tanimoto metric | 0.7076 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8288 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58924
Similarity: 0.6842
Similarity to MM58924
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8125 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
