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DocumentationIdentifier: MM197706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197706 |
| SMILES |
CC=C(CC)C(O)CO
|
| InChIKey |
JYCVNJLWBSOOSW-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
MM382676
Similarity: 0.8448
Similarity to MM382676
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391066
Similarity: 0.8099
Similarity to MM391066
| Tanimoto metric | 0.8099 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390413
Similarity: 0.784
Similarity to MM390413
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8789 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+759 more
