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DocumentationIdentifier: MM67724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67724 |
| SMILES |
CN(C)C=C(C#N)OC=O
|
| InChIKey |
JXSLWGSKHYXRSR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51966
Similarity: 0.8661
Similarity to MM51966
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38144
Similarity: 0.6607
Similarity to MM38144
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.7957 |
| MW: | 112.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67473
Similarity: 0.651
Similarity to MM67473
| Tanimoto metric | 0.651 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7886 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
