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DocumentationIdentifier: MM406286
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406286 |
| SMILES |
O=CC(CO)OC=CCO
|
| InChIKey |
UKSBFBBFOSQCSO-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54506
Similarity: 0.8817
Similarity to MM54506
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406282
Similarity: 0.7736
Similarity to MM406282
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8723 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406574
Similarity: 0.7664
Similarity to MM406574
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8677 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
