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DocumentationIdentifier: MM80624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80624 |
| SMILES |
C#CC=C(C)NC(=N)CO
|
| InChIKey |
NYYGHFJVSUAEFX-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88218
Similarity: 0.8077
Similarity to MM88218
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136136
Similarity: 0.7462
Similarity to MM136136
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265862
Similarity: 0.7162
Similarity to MM265862
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8346 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
