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DocumentationIdentifier: MM227749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227749 |
| SMILES |
CC(C)CCC(C)(O)CF
|
| InChIKey |
FKBPDZHLFXNAAO-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138091
Similarity: 0.9091
Similarity to MM138091
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239197
Similarity: 0.8163
Similarity to MM239197
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8989 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345475
Similarity: 0.8
Similarity to MM345475
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
