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DocumentationIdentifier: MM83053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83053 |
| SMILES |
CCOCC(O)CCCO
|
| InChIKey |
QTEJNUXNRFQNAO-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291152
Similarity: 0.8289
Similarity to MM291152
| Tanimoto metric | 0.8289 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9065 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155659
Similarity: 0.8194
Similarity to MM155659
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69291
Similarity: 0.7875
Similarity to MM69291
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8811 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+696 more
