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DocumentationIdentifier: MM261095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261095 |
| SMILES |
C#CC(F)=CC#CC(=O)O
|
| InChIKey |
JMCRFGRIDQOMCX-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133445
Similarity: 0.8333
Similarity to MM133445
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253155
Similarity: 0.7177
Similarity to MM253155
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8357 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171708
Similarity: 0.7059
Similarity to MM171708
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
