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DocumentationIdentifier: MM311753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311753 |
| SMILES |
CCC(F)(C#CC=O)CO
|
| InChIKey |
OKFLPUQMHNTCTR-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
MM311673
Similarity: 0.6968
Similarity to MM311673
| Tanimoto metric | 0.6968 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8213 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42070
Similarity: 0.6889
Similarity to MM42070
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61631
Similarity: 0.6485
Similarity to MM61631
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7868 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
