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DocumentationIdentifier: MM54891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54891 |
| SMILES |
C#CC(N)C(CF)OCC
|
| InChIKey |
OIDDNOFZKYYPJS-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55915
Similarity: 0.6892
Similarity to MM55915
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.816 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54427
Similarity: 0.6629
Similarity to MM54427
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7973 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55937
Similarity: 0.622
Similarity to MM55937
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7718 |
| Dice metric | 0.7669 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
