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DocumentationIdentifier: MM258103
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258103 |
| SMILES |
CCC(=O)COCC(C)F
|
| InChIKey |
ILNQQLOQVHVBJW-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257778
Similarity: 0.79
Similarity to MM257778
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8827 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258105
Similarity: 0.7184
Similarity to MM258105
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8362 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166408
Similarity: 0.6889
Similarity to MM166408
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
