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DocumentationIdentifier: MM37355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37355 |
| SMILES |
O=COC=C(F)CO
|
| InChIKey |
UDKRGLXIOQHOSW-UHFFFAOYSA-N
|
| MW [Da] |
120.08
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97662
Similarity: 0.7164
Similarity to MM97662
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44336
Similarity: 0.7128
Similarity to MM44336
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48398
Similarity: 0.6442
Similarity to MM48398
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.7836 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
