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DocumentationIdentifier: MM76640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76640 |
| SMILES |
CC(C#N)C(F)(C#N)CO
|
| InChIKey |
HSEPTJOTQMWCJK-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60434
Similarity: 0.8054
Similarity to MM60434
| Tanimoto metric | 0.8054 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8922 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42260
Similarity: 0.7681
Similarity to MM42260
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319864
Similarity: 0.7143
Similarity to MM319864
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8333 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
