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DocumentationIdentifier: MM308172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308172 |
| SMILES |
C=CC(C=C)=C(C)C(N)=O
|
| InChIKey |
SVJUHEDNBQBRHI-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316023
Similarity: 0.8909
Similarity to MM316023
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325575
Similarity: 0.7481
Similarity to MM325575
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8559 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM391900
Similarity: 0.7259
Similarity to MM391900
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8412 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
