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DocumentationIdentifier: MM83161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83161 |
| SMILES |
CCOCC(=O)CCCO
|
| InChIKey |
LCMXYTYPVKDSKC-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156107
Similarity: 0.8765
Similarity to MM156107
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291908
Similarity: 0.8068
Similarity to MM291908
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8931 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69435
Similarity: 0.7742
Similarity to MM69435
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8727 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
