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DocumentationIdentifier: MM313471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313471 |
| SMILES |
CC(F)C(C=O)(CO)CO
|
| InChIKey |
IJRUJPZZOHQVMC-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229805
Similarity: 0.6824
Similarity to MM229805
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8112 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243719
Similarity: 0.6779
Similarity to MM243719
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.808 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116951
Similarity: 0.6186
Similarity to MM116951
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7644 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
