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DocumentationIdentifier: MM389323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389323 |
| SMILES |
C=CC(=C)N(C=O)C(C)C
|
| InChIKey |
VVVVXKHNFOMSLA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM181051
Similarity: 0.7154
Similarity to MM181051
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412671
Similarity: 0.6188
Similarity to MM412671
| Tanimoto metric | 0.6188 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7645 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378724
Similarity: 0.5939
Similarity to MM378724
| Tanimoto metric | 0.5939 |
|---|---|
| Cosine metric | 0.7453 |
| Dice metric | 0.7452 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
