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DocumentationIdentifier: MM392547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392547 |
| SMILES |
COCCC(C=O)C(C)F
|
| InChIKey |
WXHNWICTTOAPHA-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52170
Similarity: 0.8018
Similarity to MM52170
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402867
Similarity: 0.6446
Similarity to MM402867
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.7839 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196945
Similarity: 0.6349
Similarity to MM196945
| Tanimoto metric | 0.6349 |
|---|---|
| Cosine metric | 0.7791 |
| Dice metric | 0.7767 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
