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DocumentationIdentifier: MM261542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261542 |
| SMILES |
CCOC(C)CC(C)C=O
|
| InChIKey |
QZGNXXDWDDUJTN-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141683
Similarity: 0.8404
Similarity to MM141683
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327735
Similarity: 0.7745
Similarity to MM327735
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8729 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261659
Similarity: 0.693
Similarity to MM261659
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8187 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
