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DocumentationIdentifier: MM307286
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307286 |
| SMILES |
C#CC(=O)C(F)(C#C)CF
|
| InChIKey |
VSPFIIIRVZYUAP-UHFFFAOYSA-N
|
| MW [Da] |
142.1
Automatically obtained from RDkit software. |
| LogP |
0.5
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: 0.6763
Similarity to MM137983
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8069 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307495
Similarity: 0.6277
Similarity to MM307495
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7712 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242691
Similarity: 0.6139
Similarity to MM242691
| Tanimoto metric | 0.6139 |
|---|---|
| Cosine metric | 0.7622 |
| Dice metric | 0.7607 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
