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DocumentationIdentifier: MM179252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179252 |
| SMILES |
C=CC(=CC=O)NC=N
|
| InChIKey |
XISCTYBFIHSIHK-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116552
Similarity: 0.7312
Similarity to MM116552
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200408
Similarity: 0.6182
Similarity to MM200408
| Tanimoto metric | 0.6182 |
|---|---|
| Cosine metric | 0.7648 |
| Dice metric | 0.764 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178714
Similarity: 0.6126
Similarity to MM178714
| Tanimoto metric | 0.6126 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7598 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+166 more
