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DocumentationIdentifier: MM111578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111578 |
| SMILES |
O=CC(O)C(F)CO
|
| InChIKey |
XTSFHIPRAIWLGD-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM26994
Similarity: 0.7368
Similarity to MM26994
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35386
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Similarity to MM35386
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7947 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160157
Similarity: 0.6387
Similarity to MM160157
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7795 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
