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DocumentationIdentifier: MM135829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135829 |
| SMILES |
NC=CC(=O)CC(F)F
|
| InChIKey |
BZKGJRRPLSHNQZ-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM384469
Similarity: 0.8182
Similarity to MM384469
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107599
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| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223383
Similarity: 0.6983
Similarity to MM223383
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+631 more
