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DocumentationIdentifier: MM382686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382686 |
| SMILES |
CCC=C(CO)C(O)CO
|
| InChIKey |
NMRJCRBXTXYUPV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175071
Similarity: 0.7876
Similarity to MM175071
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180552
Similarity: 0.7522
Similarity to MM180552
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382690
Similarity: 0.7252
Similarity to MM382690
| Tanimoto metric | 0.7252 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8407 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
