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DocumentationIdentifier: MM190589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM190589 |
| SMILES |
CCCC1CC=C(F)C1
|
| InChIKey |
BHUYVWLELGJPGQ-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM118896
Similarity: 0.8293
Similarity to MM118896
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM190609
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Similarity to MM190609
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8465 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM187837
Similarity: 0.6939
Similarity to MM187837
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8193 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
