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DocumentationIdentifier: MM253270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253270 |
| SMILES |
COCC(=O)OC=C(C)F
|
| InChIKey |
LXUIGYZZSWDGBZ-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325368
Similarity: 0.709
Similarity to MM325368
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8297 |
| MW: | 148.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325366
Similarity: 0.7037
Similarity to MM325366
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8261 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156904
Similarity: 0.6972
Similarity to MM156904
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
