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DocumentationIdentifier: MM71957
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71957 |
| SMILES |
CN(C=CC#N)C(=N)CO
|
| InChIKey |
QEFNVSODRVTGBE-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163315
Similarity: 0.7236
Similarity to MM163315
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355859
Similarity: 0.7194
Similarity to MM355859
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8368 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355857
Similarity: 0.7063
Similarity to MM355857
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8279 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
