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DocumentationIdentifier: MM387231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387231 |
| SMILES |
CNCCN(C=O)CC#N
|
| InChIKey |
FRXCOMMYEQSJQA-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43343
Similarity: 0.7079
Similarity to MM43343
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8289 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69759
Similarity: 0.7059
Similarity to MM69759
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55110
Similarity: 0.6593
Similarity to MM55110
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.8011 |
| Dice metric | 0.7947 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
