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DocumentationIdentifier: MM332652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332652 |
| SMILES |
CCC(CC)=C(C)C(N)=O
|
| InChIKey |
SDNHWPVAYKOIGU-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: 0.8938
Similarity to MM323048
| Tanimoto metric | 0.8938 |
|---|---|
| Cosine metric | 0.9454 |
| Dice metric | 0.9439 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332720
Similarity: 0.763
Similarity to MM332720
| 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
|
MM331578
Similarity: 0.7372
Similarity to MM331578
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8487 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
