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DocumentationIdentifier: MM242111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242111 |
| SMILES |
C#CC(C)(C)C(C)NC=N
|
| InChIKey |
XAOPOVLDTNYCIU-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
MM233313
Similarity: 0.6423
Similarity to MM233313
| 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
|
MM132046
Similarity: 0.6126
Similarity to MM132046
| Tanimoto metric | 0.6126 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.7598 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138513
Similarity: 0.6126
Similarity to MM138513
| Tanimoto metric | 0.6126 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.7598 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
