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DocumentationIdentifier: MM332720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332720 |
| SMILES |
CCCC(C)=C(C)C(N)=O
|
| InChIKey |
CNIURQPMVHPWQG-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM323048
Similarity: 0.808
Similarity to MM323048
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332652
Similarity: 0.763
Similarity to MM332652
| Tanimoto metric | 0.763 |
|---|---|
| Cosine metric | 0.8666 |
| Dice metric | 0.8655 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328072
Similarity: 0.728
Similarity to MM328072
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
