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DocumentationIdentifier: MM320075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320075 |
| SMILES |
C#CC(F)(CO)C(C)CO
|
| InChIKey |
YMFDUUKIDINMNB-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
MM139466
Similarity: 0.7687
Similarity to MM139466
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320148
Similarity: 0.7161
Similarity to MM320148
| Tanimoto metric | 0.7161 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8346 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77272
Similarity: 0.6646
Similarity to MM77272
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7985 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
