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DocumentationIdentifier: MM378239
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378239 |
| SMILES |
C=CC(C=CC#N)NC=N
|
| InChIKey |
SYNWPPXJVJHHGE-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157842
Similarity: 0.8211
Similarity to MM157842
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378129
Similarity: 0.6667
Similarity to MM378129
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.8 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234305
Similarity: 0.65
Similarity to MM234305
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.7885 |
| Dice metric | 0.7879 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
