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DocumentationIdentifier: MM129827
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129827 |
| SMILES |
CC(C)C(F)C(C)(C)O
|
| InChIKey |
GYMHBRRCBCWYKT-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM109040
Similarity: 0.7952
Similarity to MM109040
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM222806
Similarity: 0.7094
Similarity to MM222806
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131988
Similarity: 0.6635
Similarity to MM131988
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7977 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+628 more
