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DocumentationIdentifier: MM227958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227958 |
| SMILES |
CC(F)(CF)CCC(=O)O
|
| InChIKey |
SGXVGLZUXHPAPL-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130399
Similarity: 0.7049
Similarity to MM130399
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268445
Similarity: 0.6364
Similarity to MM268445
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7782 |
| Dice metric | 0.7778 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43685
Similarity: 0.623
Similarity to MM43685
| Tanimoto metric | 0.623 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7677 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
