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DocumentationIdentifier: MM307495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307495 |
| SMILES |
C#CC(=O)C(F)(C#C)C#C
|
| InChIKey |
RPPUKZQMFCIIQF-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137983
Similarity: 0.8797
Similarity to MM137983
| Tanimoto metric | 0.8797 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15290
Similarity: 0.782
Similarity to MM15290
| Tanimoto metric | 0.782 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8776 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307286
Similarity: 0.6277
Similarity to MM307286
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7712 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
