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DocumentationIdentifier: MM42379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42379 |
| SMILES |
N#CCC(F)(C#N)C=O
|
| InChIKey |
DLVWSZBOZSZJLF-UHFFFAOYSA-N
|
| MW [Da] |
126.09
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320244
Similarity: 0.6688
Similarity to MM320244
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8015 |
| MW: | 144.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28572
Similarity: 0.6667
Similarity to MM28572
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15671
Similarity: 0.608
Similarity to MM15671
| Tanimoto metric | 0.608 |
|---|---|
| Cosine metric | 0.757 |
| Dice metric | 0.7562 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
