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DocumentationIdentifier: MM34428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34428 |
| SMILES |
CN=CNC(C)(C#N)C#N
|
| InChIKey |
BZKDAQGRQTVXGZ-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138644
Similarity: 0.8409
Similarity to MM138644
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52931
Similarity: 0.7935
Similarity to MM52931
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8848 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64605
Similarity: 0.6705
Similarity to MM64605
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
