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DocumentationIdentifier: MM65412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65412 |
| SMILES |
CC(C)(C)C(C#N)NC=N
|
| InChIKey |
CGBQVLZBNXLBET-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132046
Similarity: 0.6602
Similarity to MM132046
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.7953 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52647
Similarity: 0.6418
Similarity to MM52647
| Tanimoto metric | 0.6418 |
|---|---|
| Cosine metric | 0.7834 |
| Dice metric | 0.7818 |
| MW: | 136.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67900
Similarity: 0.6311
Similarity to MM67900
| Tanimoto metric | 0.6311 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7738 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
