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DocumentationIdentifier: MM199269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199269 |
| SMILES |
N#CC(C#N)NCC=O
|
| InChIKey |
JJPIYWRMYFIALK-UHFFFAOYSA-N
|
| MW [Da] |
123.12
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
MM430742
Similarity: 0.8689
Similarity to MM430742
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327979
Similarity: 0.7922
Similarity to MM327979
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341402
Similarity: 0.7011
Similarity to MM341402
| Tanimoto metric | 0.7011 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8243 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
