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DocumentationIdentifier: MM78640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78640 |
| SMILES |
C=CC(=C)OCC(O)C#N
|
| InChIKey |
ZECBMGMDZKQQPL-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43743
Similarity: 0.7798
Similarity to MM43743
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317587
Similarity: 0.6905
Similarity to MM317587
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8169 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318057
Similarity: 0.6589
Similarity to MM318057
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7944 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
