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DocumentationIdentifier: MM221179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221179 |
| SMILES |
CCCC(=O)CC(C)(F)F
|
| InChIKey |
BRNPERSLMIVYDB-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130139
Similarity: 0.883
Similarity to MM130139
| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226687
Similarity: 0.7909
Similarity to MM226687
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8832 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222644
Similarity: 0.7034
Similarity to MM222644
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8259 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
