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DocumentationIdentifier: MM291882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291882 |
| SMILES |
C=C(CCN)CCOC=O
|
| InChIKey |
JQXRBOSOUKSXKB-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166612
Similarity: 0.7753
Similarity to MM166612
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291740
Similarity: 0.703
Similarity to MM291740
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8256 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291881
Similarity: 0.6893
Similarity to MM291881
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8161 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
