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DocumentationIdentifier: MM254766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254766 |
| SMILES |
COC(CO)CCC(=O)O
|
| InChIKey |
ZIVWKVGXKQRFAE-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198643
Similarity: 0.7308
Similarity to MM198643
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254753
Similarity: 0.7155
Similarity to MM254753
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8342 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81544
Similarity: 0.6587
Similarity to MM81544
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7943 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
