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DocumentationIdentifier: MM233313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233313 |
| SMILES |
C#CC(C)C(C)(C)NC=N
|
| InChIKey |
BKWNUXLPJKMARA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132423
Similarity: 0.7018
Similarity to MM132423
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8247 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242111
Similarity: 0.6423
Similarity to MM242111
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7822 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132634
Similarity: 0.6228
Similarity to MM132634
| Tanimoto metric | 0.6228 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.7676 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
