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DocumentationIdentifier: MM351799
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351799 |
| SMILES |
C=C(CC)C(=C)C(O)CO
|
| InChIKey |
VDAFOKSODQQQNA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47552
Similarity: 0.8413
Similarity to MM47552
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343614
Similarity: 0.8092
Similarity to MM343614
| Tanimoto metric | 0.8092 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8945 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351801
Similarity: 0.7714
Similarity to MM351801
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.871 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
