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DocumentationIdentifier: MM225720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225720 |
| SMILES |
CCC(C)(F)C(=O)C(C)C
|
| InChIKey |
NZYPNHAOIYCQSU-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
MM222172
Similarity: 0.7647
Similarity to MM222172
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8667 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160789
Similarity: 0.725
Similarity to MM160789
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132686
Similarity: 0.6977
Similarity to MM132686
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8219 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
