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DocumentationIdentifier: MM71332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71332 |
| SMILES |
CC(=CCO)OC=CCO
|
| InChIKey |
IKCXBAGUVBCHAY-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159078
Similarity: 0.9437
Similarity to MM159078
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168956
Similarity: 0.8873
Similarity to MM168956
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107892
Similarity: 0.8028
Similarity to MM107892
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
