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DocumentationIdentifier: MM116196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116196 |
| SMILES |
N#CC(C#N)NC=O
|
| InChIKey |
CWXYRPVICSKSLX-UHFFFAOYSA-N
|
| MW [Da] |
109.09
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26279
Similarity: 0.8431
Similarity to MM26279
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42387
Similarity: 0.6986
Similarity to MM42387
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53310
Similarity: 0.6986
Similarity to MM53310
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
