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DocumentationIdentifier: MM385790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385790 |
| SMILES |
CCCC(CCCF)NC
|
| InChIKey |
BUPOWBCEIQBYLF-UHFFFAOYSA-N
|
| MW [Da] |
147.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198521
Similarity: 0.9178
Similarity to MM198521
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94320
Similarity: 0.7791
Similarity to MM94320
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8758 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM339716
Similarity: 0.7528
Similarity to MM339716
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.859 |
| MW: | 151.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
