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DocumentationIdentifier: MM244886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244886 |
| SMILES |
CC(C)C(C)CC(=O)CF
|
| InChIKey |
YXIMRAFIQAMOON-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.21
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: 0.8391
Similarity to MM141922
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328403
Similarity: 0.7935
Similarity to MM328403
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8848 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262015
Similarity: 0.7374
Similarity to MM262015
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8488 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
