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DocumentationIdentifier: MM231402
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231402 |
| SMILES |
CC(C)(F)C(=O)COC=O
|
| InChIKey |
UAIOGDDPMZOYGQ-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162505
Similarity: 0.7559
Similarity to MM162505
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28372
Similarity: 0.6299
Similarity to MM28372
| Tanimoto metric | 0.6299 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.7729 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47958
Similarity: 0.6063
Similarity to MM47958
| Tanimoto metric | 0.6063 |
|---|---|
| Cosine metric | 0.7787 |
| Dice metric | 0.7549 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
