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DocumentationIdentifier: MM317056
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317056 |
| SMILES |
C=CC(=O)CCC(F)CF
|
| InChIKey |
QIIPNWWWBBZPAA-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144728
Similarity: 0.81
Similarity to MM144728
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43687
Similarity: 0.7
Similarity to MM43687
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317052
Similarity: 0.6983
Similarity to MM317052
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8223 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
