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DocumentationIdentifier: MM91620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91620 |
| SMILES |
CNC(=N)C(C)(C)C#N
|
| InChIKey |
SHYAEJIPVOZCLF-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91577
Similarity: 0.7708
Similarity to MM91577
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83196
Similarity: 0.6875
Similarity to MM83196
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65948
Similarity: 0.6531
Similarity to MM65948
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.7901 |
| MW: | 143.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
