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DocumentationIdentifier: MM85411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85411 |
| SMILES |
C=C(CC=CF)C(O)CO
|
| InChIKey |
WWUUVMJBDKICLY-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50264
Similarity: 0.7778
Similarity to MM50264
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360323
Similarity: 0.6667
Similarity to MM360323
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72069
Similarity: 0.625
Similarity to MM72069
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7692 |
| Dice metric | 0.7692 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
