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DocumentationIdentifier: MM160405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160405 |
| SMILES |
COC(=O)C(O)C(C)O
|
| InChIKey |
WSWXGWWRXBEESI-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
-1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349556
Similarity: 0.844
Similarity to MM349556
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349032
Similarity: 0.838
Similarity to MM349032
| Tanimoto metric | 0.838 |
|---|---|
| Cosine metric | 0.9154 |
| Dice metric | 0.9119 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349028
Similarity: 0.7881
Similarity to MM349028
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8815 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
