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DocumentationIdentifier: MM35283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35283 |
| SMILES |
N#CC(F)(C#N)C=O
|
| InChIKey |
GGVKJRWSSOACMY-UHFFFAOYSA-N
|
| MW [Da] |
112.06
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25763
Similarity: 0.8197
Similarity to MM25763
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 101.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35282
Similarity: 0.6849
Similarity to MM35282
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.813 |
| MW: | 115.06 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140113
Similarity: 0.5865
Similarity to MM140113
| Tanimoto metric | 0.5865 |
|---|---|
| Cosine metric | 0.7659 |
| Dice metric | 0.7394 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
