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DocumentationIdentifier: MM181091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM181091 |
| SMILES |
C=C(C)N(CC)C(C)=O
|
| InChIKey |
JYCFFRXFMNNDDT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34931
Similarity: 0.8438
Similarity to MM34931
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308231
Similarity: 0.8205
Similarity to MM308231
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM181109
Similarity: 0.7788
Similarity to MM181109
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8756 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
