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DocumentationIdentifier: MM160232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160232 |
| SMILES |
CC(=O)C(C)C(F)C=O
|
| InChIKey |
YRJKDEXAGGNDQG-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253894
Similarity: 0.7538
Similarity to MM253894
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109059
Similarity: 0.7449
Similarity to MM109059
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234733
Similarity: 0.7368
Similarity to MM234733
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
