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DocumentationIdentifier: MM450227
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450227 |
| SMILES |
COC=COCC=CCO
|
| InChIKey |
IJXSAHWFJRVAOL-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214015
Similarity: 0.8909
Similarity to MM214015
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450366
Similarity: 0.7813
Similarity to MM450366
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8772 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450438
Similarity: 0.7353
Similarity to MM450438
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8475 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
