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DocumentationIdentifier: MM335481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335481 |
| SMILES |
CCC(C)=CC(C#N)NC
|
| InChIKey |
WRYPXLXHEOTDGI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43772
Similarity: 0.7411
Similarity to MM43772
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143328
Similarity: 0.6875
Similarity to MM143328
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM424006
Similarity: 0.6667
Similarity to MM424006
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.8 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
