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DocumentationIdentifier: MM361054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361054 |
| SMILES |
COCC=C(F)C#CC=O
|
| InChIKey |
WKWXPJLWXUFLTN-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47164
Similarity: 0.8333
Similarity to MM47164
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159858
Similarity: 0.8137
Similarity to MM159858
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16219
Similarity: 0.6589
Similarity to MM16219
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7953 |
| Dice metric | 0.7944 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
