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DocumentationIdentifier: MM349762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349762 |
| SMILES |
C=CC(=N)N(C)C(C)C#N
|
| InChIKey |
ZTEHROGLIZUMCK-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91336
Similarity: 0.6884
Similarity to MM91336
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376874
Similarity: 0.6711
Similarity to MM376874
| Tanimoto metric | 0.6711 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.8032 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80964
Similarity: 0.6594
Similarity to MM80964
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.7948 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
