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DocumentationIdentifier: MM27513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27513 |
| SMILES |
N#CC(C=O)CF
|
| InChIKey |
NYNSIDBPYCELGG-UHFFFAOYSA-N
|
| MW [Da] |
101.08
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35188
Similarity: 0.7333
Similarity to MM35188
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116976
Similarity: 0.7213
Similarity to MM116976
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15673
Similarity: 0.6111
Similarity to MM15673
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7586 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
