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DocumentationIdentifier: MM320061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320061 |
| SMILES |
C#CC(C)(CO)C(F)CO
|
| InChIKey |
OQMDJWNMTNNEJR-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320134
Similarity: 0.7143
Similarity to MM320134
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313602
Similarity: 0.6601
Similarity to MM313602
| Tanimoto metric | 0.6601 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7953 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229832
Similarity: 0.6036
Similarity to MM229832
| Tanimoto metric | 0.6036 |
|---|---|
| Cosine metric | 0.7529 |
| Dice metric | 0.7528 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+196 more
