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DocumentationIdentifier: MM23987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23987 |
| SMILES |
CC(=O)CCF
|
| InChIKey |
JLBBYMYIYLJFFN-UHFFFAOYSA-N
|
| MW [Da] |
90.1
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26349
Similarity: 0.7778
Similarity to MM26349
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97166
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| Tanimoto metric | 0.7368 |
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| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM26355
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Similarity to MM26355
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
