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DocumentationIdentifier: MM244915
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244915 |
| SMILES |
CCC(=O)CC(O)C(C)F
|
| InChIKey |
KWUOFJVDKVLIHB-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40749
Similarity: 0.8175
Similarity to MM40749
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244916
Similarity: 0.7466
Similarity to MM244916
| Tanimoto metric | 0.7466 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8549 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64828
Similarity: 0.7068
Similarity to MM64828
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8282 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
