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DocumentationIdentifier: MM65219
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65219 |
| SMILES |
C=C(C#N)NC(=O)CC#N
|
| InChIKey |
HHSBQJZPZGNAQA-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142728
Similarity: 0.848
Similarity to MM142728
| Tanimoto metric | 0.848 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9177 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263705
Similarity: 0.731
Similarity to MM263705
| Tanimoto metric | 0.731 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8446 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65165
Similarity: 0.702
Similarity to MM65165
| Tanimoto metric | 0.702 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8249 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
