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DocumentationIdentifier: MM382494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382494 |
| SMILES |
CC(=CF)C(=CF)CCN
|
| InChIKey |
BKRSJRFSROWXOQ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174849
Similarity: 0.8182
Similarity to MM174849
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84504
Similarity: 0.7182
Similarity to MM84504
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.836 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381593
Similarity: 0.6923
Similarity to MM381593
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8182 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
