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DocumentationIdentifier: MM346339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346339 |
| SMILES |
CC(C)=CCC(C=O)=CN
|
| InChIKey |
ATUIUYSEPYZYJU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420042
Similarity: 0.7745
Similarity to MM420042
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8729 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420641
Similarity: 0.7383
Similarity to MM420641
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8495 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420653
Similarity: 0.7297
Similarity to MM420653
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8438 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
