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DocumentationIdentifier: MM158197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158197 |
| SMILES |
C#CC=CC(F)C=CF
|
| InChIKey |
KEBHRDFVKUWLCK-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114193
Similarity: 0.7465
Similarity to MM114193
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107734
Similarity: 0.7324
Similarity to MM107734
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158196
Similarity: 0.6883
Similarity to MM158196
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8154 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
