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DocumentationIdentifier: MM156291
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156291 |
| SMILES |
CNCC(=O)NCC#N
|
| InChIKey |
GUXRICOPBIXIPQ-UHFFFAOYSA-N
|
| MW [Da] |
127.15
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355864
Similarity: 0.925
Similarity to MM355864
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83286
Similarity: 0.8605
Similarity to MM83286
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258503
Similarity: 0.8095
Similarity to MM258503
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8947 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
