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DocumentationIdentifier: MM60434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60434 |
| SMILES |
CC(F)(C#N)C(C#N)CO
|
| InChIKey |
UETVHMMUJCVGTF-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
MM76640
Similarity: 0.8054
Similarity to MM76640
| 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
|
MM41537
Similarity: 0.7634
Similarity to MM41537
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8658 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40152
Similarity: 0.7557
Similarity to MM40152
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
