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DocumentationIdentifier: MM137983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137983 |
| SMILES |
C#CC(=O)C(C)(F)C#C
|
| InChIKey |
LBHSKWNIIMTRGW-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307495
Similarity: 0.8797
Similarity to MM307495
| Tanimoto metric | 0.8797 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28758
Similarity: 0.7436
Similarity to MM28758
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102678
Similarity: 0.6838
Similarity to MM102678
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8122 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
