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DocumentationIdentifier: MM375952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375952 |
| SMILES |
O=CNC(CO)C(O)CO
|
| InChIKey |
QAMUCHVOWSVLHO-UHFFFAOYSA-N
|
| MW [Da] |
149.15
Automatically obtained from RDkit software. |
| LogP |
-2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171970
Similarity: 0.8016
Similarity to MM171970
| Tanimoto metric | 0.8016 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8899 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177822
Similarity: 0.6508
Similarity to MM177822
| Tanimoto metric | 0.6508 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.7885 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348414
Similarity: 0.6048
Similarity to MM348414
| Tanimoto metric | 0.6048 |
|---|---|
| Cosine metric | 0.7551 |
| Dice metric | 0.7537 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
