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DocumentationIdentifier: MM228954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228954 |
| SMILES |
CC(O)CC(F)(CO)CO
|
| InChIKey |
AEBFPPBLQUGITL-UHFFFAOYSA-N
|
| MW [Da] |
152.17
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40050
Similarity: 0.8684
Similarity to MM40050
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226018
Similarity: 0.7174
Similarity to MM226018
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8354 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226061
Similarity: 0.6897
Similarity to MM226061
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8163 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
