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DocumentationIdentifier: MM353546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353546 |
| SMILES |
O=CC(O)C(=O)CC=CF
|
| InChIKey |
CSCWLNMMDIGMMR-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173402
Similarity: 0.7815
Similarity to MM173402
| Tanimoto metric | 0.7815 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8774 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353544
Similarity: 0.7037
Similarity to MM353544
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8261 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353322
Similarity: 0.6906
Similarity to MM353322
| Tanimoto metric | 0.6906 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.817 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
