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DocumentationIdentifier: MM62743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62743 |
| SMILES |
CC(C)=C(C)CC(=O)CO
|
| InChIKey |
RLUYJFRPNNSTSG-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43352
Similarity: 0.8482
Similarity to MM43352
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65670
Similarity: 0.709
Similarity to MM65670
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8297 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65688
Similarity: 0.7007
Similarity to MM65688
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.824 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
