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DocumentationIdentifier: MM33748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33748 |
| SMILES |
NC(=O)C#CC=CF
|
| InChIKey |
FKVATUAMDBFERE-UHFFFAOYSA-N
|
| MW [Da] |
113.09
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133443
Similarity: 0.8108
Similarity to MM133443
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 131.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26052
Similarity: 0.75
Similarity to MM26052
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 95.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49803
Similarity: 0.7407
Similarity to MM49803
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
