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DocumentationIdentifier: MM38122
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38122 |
| SMILES |
N#CC(=CN)NC=O
|
| InChIKey |
AYCKOOOSHLJCSS-UHFFFAOYSA-N
|
| MW [Da] |
111.1
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51957
Similarity: 0.8022
Similarity to MM51957
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52844
Similarity: 0.7526
Similarity to MM52844
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150538
Similarity: 0.7019
Similarity to MM150538
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8249 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
