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DocumentationIdentifier: MM280325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280325 |
| SMILES |
CCC=CNC(=O)CC#N
|
| InChIKey |
MNJKURNMIWXKAG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46290
Similarity: 0.8969
Similarity to MM46290
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280434
Similarity: 0.8165
Similarity to MM280434
| Tanimoto metric | 0.8165 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.899 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70347
Similarity: 0.8131
Similarity to MM70347
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8969 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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