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DocumentationIdentifier: MM349028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349028 |
| SMILES |
CCC(O)C(O)C(=O)OC
|
| InChIKey |
PMBZZBIURKJQJN-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160405
Similarity: 0.7881
Similarity to MM160405
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8815 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349032
Similarity: 0.6936
Similarity to MM349032
| Tanimoto metric | 0.6936 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8191 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349556
Similarity: 0.6879
Similarity to MM349556
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8151 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
