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DocumentationIdentifier: MM52931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52931 |
| SMILES |
N#CC(C#N)(C#N)NC=N
|
| InChIKey |
FZKYNRILBJKLKX-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34428
Similarity: 0.7935
Similarity to MM34428
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8848 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64605
Similarity: 0.7662
Similarity to MM64605
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138644
Similarity: 0.6413
Similarity to MM138644
| Tanimoto metric | 0.6413 |
|---|---|
| Cosine metric | 0.7816 |
| Dice metric | 0.7815 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
