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DocumentationIdentifier: MM349984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349984 |
| SMILES |
C#CC(O)C(O)C(=C)C=C
|
| InChIKey |
WUYQTSHVTLJKIF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160440
Similarity: 0.7211
Similarity to MM160440
| Tanimoto metric | 0.7211 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8379 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300019
Similarity: 0.6609
Similarity to MM300019
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7958 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372083
Similarity: 0.6463
Similarity to MM372083
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.7851 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
