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DocumentationIdentifier: MM306590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306590 |
| SMILES |
CC(C)=C(CC#N)NC=N
|
| InChIKey |
JSHJOCFTYIJRCA-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77442
Similarity: 0.7029
Similarity to MM77442
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8255 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376869
Similarity: 0.6978
Similarity to MM376869
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.822 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304350
Similarity: 0.6622
Similarity to MM304350
| Tanimoto metric | 0.6622 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7967 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
