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DocumentationIdentifier: MM68752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68752 |
| SMILES |
C=C(C#CC)NC(=N)CO
|
| InChIKey |
GVYQYDZPVQJBFX-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
MM142796
Similarity: 0.8217
Similarity to MM142796
| Tanimoto metric | 0.8217 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9021 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135942
Similarity: 0.7364
Similarity to MM135942
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8482 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237791
Similarity: 0.6966
Similarity to MM237791
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8211 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
