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DocumentationIdentifier: MM100791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100791 |
| SMILES |
O=COCC=CF
|
| InChIKey |
LJLQVULBMNNULU-UHFFFAOYSA-N
|
| MW [Da] |
104.08
Automatically obtained from RDkit software. |
| LogP |
0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106569
Similarity: 0.7647
Similarity to MM106569
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 122.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25153
Similarity: 0.6923
Similarity to MM25153
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 86.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106567
Similarity: 0.661
Similarity to MM106567
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.7959 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
