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DocumentationIdentifier: MM268368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268368 |
| SMILES |
CC(F)CC(O)C(O)C#N
|
| InChIKey |
ODWWFZGPEZHJPH-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133494
Similarity: 0.7177
Similarity to MM133494
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62041
Similarity: 0.6181
Similarity to MM62041
| Tanimoto metric | 0.6181 |
|---|---|
| Cosine metric | 0.7655 |
| Dice metric | 0.7639 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49992
Similarity: 0.6129
Similarity to MM49992
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.76 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
