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DocumentationIdentifier: MM328403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328403 |
| SMILES |
CCC(CC)CC(=O)CF
|
| InChIKey |
WCBFBCLYSIRCPJ-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141922
Similarity: 0.9359
Similarity to MM141922
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262015
Similarity: 0.8111
Similarity to MM262015
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8957 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244886
Similarity: 0.7935
Similarity to MM244886
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8848 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
