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DocumentationIdentifier: MM348994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348994 |
| SMILES |
CCCOC(C)C(=O)CC
|
| InChIKey |
PWCKWYDRLNKMJW-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349421
Similarity: 0.8727
Similarity to MM349421
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.932 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301521
Similarity: 0.8
Similarity to MM301521
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8889 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162184
Similarity: 0.7822
Similarity to MM162184
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+467 more
