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DocumentationIdentifier: MM367639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367639 |
| SMILES |
CCC=COCC(O)CC
|
| InChIKey |
PADUKHFOHXSRKB-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167182
Similarity: 0.9333
Similarity to MM167182
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367643
Similarity: 0.8554
Similarity to MM367643
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9221 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260425
Similarity: 0.8046
Similarity to MM260425
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8917 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+747 more
