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DocumentationIdentifier: MM321643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321643 |
| SMILES |
CCC(C(N)=O)=C(C)C
|
| InChIKey |
CIQRFIBIJDVLKP-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297409
Similarity: 0.8062
Similarity to MM297409
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8979 |
| Dice metric | 0.8927 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62813
Similarity: 0.8
Similarity to MM62813
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330364
Similarity: 0.7939
Similarity to MM330364
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
