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DocumentationIdentifier: MM308836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308836 |
| SMILES |
C=CCOC(C)(C=O)CC
|
| InChIKey |
LLKCRPSWYRUJAY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235272
Similarity: 0.7422
Similarity to MM235272
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.852 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308578
Similarity: 0.7373
Similarity to MM308578
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8488 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199004
Similarity: 0.7264
Similarity to MM199004
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
