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DocumentationIdentifier: MM254780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254780 |
| SMILES |
O=C(O)CCC(CO)CO
|
| InChIKey |
UUYAPFVLNLJSQW-UHFFFAOYSA-N
|
| MW [Da] |
148.16
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
MM207600
Similarity: 0.7333
Similarity to MM207600
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8462 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47847
Similarity: 0.7209
Similarity to MM47847
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8378 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM207346
Similarity: 0.7097
Similarity to MM207346
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8302 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
