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DocumentationIdentifier: MM329457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329457 |
| SMILES |
O=CC(CO)OC(=O)CF
|
| InChIKey |
KQYCPOHGOKPHEP-UHFFFAOYSA-N
|
| MW [Da] |
150.11
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150053
Similarity: 0.7419
Similarity to MM150053
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142082
Similarity: 0.7258
Similarity to MM142082
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272478
Similarity: 0.6301
Similarity to MM272478
| Tanimoto metric | 0.6301 |
|---|---|
| Cosine metric | 0.7738 |
| Dice metric | 0.7731 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
