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DocumentationIdentifier: MM350420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350420 |
| SMILES |
C=COCC(=C)C(O)CO
|
| InChIKey |
GDXROGXNYIELKK-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172934
Similarity: 0.8
Similarity to MM172934
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162500
Similarity: 0.7652
Similarity to MM162500
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71733
Similarity: 0.7132
Similarity to MM71733
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8326 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
