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DocumentationIdentifier: MM418708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418708 |
| SMILES |
C=C(C)C(=C)CC(O)CC
|
| InChIKey |
XDEDENDOTSSOIY-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
MM381268
Similarity: 0.8165
Similarity to MM381268
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.899 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436764
Similarity: 0.7818
Similarity to MM436764
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8776 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363767
Similarity: 0.7638
Similarity to MM363767
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8661 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
