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DocumentationIdentifier: MM305646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305646 |
| SMILES |
C=CCC(=C)CNC=O
|
| InChIKey |
ZVJGKEOFGPWGEZ-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306514
Similarity: 0.8026
Similarity to MM306514
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309609
Similarity: 0.7079
Similarity to MM309609
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8289 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309627
Similarity: 0.6813
Similarity to MM309627
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8105 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
