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DocumentationIdentifier: MM321672
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321672 |
| SMILES |
CC=CC(=CC=CF)CO
|
| InChIKey |
BZTDDVLQTVZUGS-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM333289
Similarity: 0.7917
Similarity to MM333289
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333838
Similarity: 0.7094
Similarity to MM333838
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.83 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322020
Similarity: 0.6981
Similarity to MM322020
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8222 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
