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DocumentationIdentifier: MM383697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383697 |
| SMILES |
OCC=CC(=CCO)CO
|
| InChIKey |
SRUYQRRMVVRFFA-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200901
Similarity: 0.8642
Similarity to MM200901
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9272 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387238
Similarity: 0.74
Similarity to MM387238
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8506 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116608
Similarity: 0.716
Similarity to MM116608
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+586 more
