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DocumentationIdentifier: MM436764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM436764 |
| SMILES |
C=CC(=C)CC(O)CCC
|
| InChIKey |
LQRDPRORSXSSHI-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM429375
Similarity: 0.9195
Similarity to MM429375
| Tanimoto metric | 0.9195 |
|---|---|
| Cosine metric | 0.9589 |
| Dice metric | 0.9581 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418708
Similarity: 0.7818
Similarity to MM418708
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8776 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262186
Similarity: 0.7547
Similarity to MM262186
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8602 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+567 more
