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DocumentationIdentifier: MM264726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264726 |
| SMILES |
CC#CC(C)OC(=O)CF
|
| InChIKey |
BICKWUFAGRVMHO-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135922
Similarity: 0.7458
Similarity to MM135922
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227177
Similarity: 0.6763
Similarity to MM227177
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8069 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370842
Similarity: 0.6667
Similarity to MM370842
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
