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DocumentationIdentifier: MM307846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307846 |
| SMILES |
CCOCC(O)(CC)CC
|
| InChIKey |
WTKAEXCRUJIHSL-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138156
Similarity: 0.8587
Similarity to MM138156
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60547
Similarity: 0.7745
Similarity to MM60547
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8729 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227798
Similarity: 0.7524
Similarity to MM227798
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8587 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
