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DocumentationIdentifier: MM59351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59351 |
| SMILES |
CNC(=O)CNCC#N
|
| InChIKey |
XCVSEJRJXBAUTD-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
MM258503
Similarity: 0.8974
Similarity to MM258503
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41089
Similarity: 0.8046
Similarity to MM41089
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355864
Similarity: 0.7857
Similarity to MM355864
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.88 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
