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DocumentationIdentifier: MM322774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322774 |
| SMILES |
NC(C#CC(F)CO)CO
|
| InChIKey |
OLBUUJFIFSRQSU-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145919
Similarity: 0.8431
Similarity to MM145919
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322945
Similarity: 0.6967
Similarity to MM322945
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8213 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225192
Similarity: 0.696
Similarity to MM225192
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8208 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
