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DocumentationIdentifier: MM64748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64748 |
| SMILES |
O=CCC(F)CC(=O)CO
|
| InChIKey |
UGAUFMCZPMJSCC-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59641
Similarity: 0.7431
Similarity to MM59641
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8543 |
| Dice metric | 0.8526 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261857
Similarity: 0.7417
Similarity to MM261857
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM32998
Similarity: 0.6931
Similarity to MM32998
| Tanimoto metric | 0.6931 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
