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DocumentationIdentifier: MM142728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142728 |
| SMILES |
C=C(C#N)NC(=O)CC
|
| InChIKey |
RMHJMEZOKKQQJH-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65219
Similarity: 0.848
Similarity to MM65219
| Tanimoto metric | 0.848 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9177 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263705
Similarity: 0.8413
Similarity to MM263705
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65165
Similarity: 0.803
Similarity to MM65165
| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8908 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
