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DocumentationIdentifier: MM263131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263131 |
| SMILES |
C=C(CNC)NC(=N)CO
|
| InChIKey |
CTFJFGRMEPHYEL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263142
Similarity: 0.7162
Similarity to MM263142
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8346 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333392
Similarity: 0.6584
Similarity to MM333392
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7956 |
| Dice metric | 0.794 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104581
Similarity: 0.616
Similarity to MM104581
| Tanimoto metric | 0.616 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7624 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
