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DocumentationIdentifier: MM328072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328072 |
| SMILES |
CCCC=C(C)C(N)=O
|
| InChIKey |
ZXQOBTQMLMZFOW-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
MM333657
Similarity: 0.91
Similarity to MM333657
| Tanimoto metric | 0.91 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9529 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85742
Similarity: 0.901
Similarity to MM85742
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333988
Similarity: 0.875
Similarity to MM333988
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
