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DocumentationIdentifier: MM178805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178805 |
| SMILES |
COCC(=CCO)CO
|
| InChIKey |
SIHGMMCKABNDOW-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75139
Similarity: 0.9559
Similarity to MM75139
| Tanimoto metric | 0.9559 |
|---|---|
| Cosine metric | 0.9777 |
| Dice metric | 0.9774 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37887
Similarity: 0.8154
Similarity to MM37887
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55576
Similarity: 0.791
Similarity to MM55576
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8833 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
