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DocumentationIdentifier: MM61752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61752 |
| SMILES |
CC(O)C(F)(C#N)CC#N
|
| InChIKey |
JNHMPBLMFXRBDF-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42260
Similarity: 0.6584
Similarity to MM42260
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41567
Similarity: 0.5977
Similarity to MM41567
| Tanimoto metric | 0.5977 |
|---|---|
| Cosine metric | 0.7578 |
| Dice metric | 0.7482 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243762
Similarity: 0.5894
Similarity to MM243762
| Tanimoto metric | 0.5894 |
|---|---|
| Cosine metric | 0.7418 |
| Dice metric | 0.7416 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
