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DocumentationIdentifier: MM47726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47726 |
| SMILES |
CC(C)=C(C)C(O)CO
|
| InChIKey |
NYEZKCGANPQINX-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353964
Similarity: 0.8214
Similarity to MM353964
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35910
Similarity: 0.7935
Similarity to MM35910
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391067
Similarity: 0.7797
Similarity to MM391067
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+745 more
