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DocumentationIdentifier: MM341402
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341402 |
| SMILES |
N#CC(C#N)NCC(N)=O
|
| InChIKey |
NKRPUKQVKBWEJM-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM274673
Similarity: 0.908
Similarity to MM274673
| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264100
Similarity: 0.7524
Similarity to MM264100
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8587 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289868
Similarity: 0.7453
Similarity to MM289868
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8541 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
