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DocumentationIdentifier: MM77037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77037 |
| SMILES |
C=CCC(C)(O)C(C)N
|
| InChIKey |
CYWSFTZMRRSIIC-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61134
Similarity: 0.7985
Similarity to MM61134
| Tanimoto metric | 0.7985 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.888 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80278
Similarity: 0.7589
Similarity to MM80278
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68756
Similarity: 0.7434
Similarity to MM68756
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8528 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
