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DocumentationIdentifier: MM312591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312591 |
| SMILES |
O=CCC(C=O)(CO)CO
|
| InChIKey |
GOSOGBLTVQFQRB-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42242
Similarity: 0.8295
Similarity to MM42242
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53051
Similarity: 0.7841
Similarity to MM53051
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312515
Similarity: 0.77
Similarity to MM312515
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8701 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
