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DocumentationIdentifier: MM226612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226612 |
| SMILES |
C#CC(C)(F)CN(C)C=N
|
| InChIKey |
MBFVRSFHGBKYOH-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130089
Similarity: 0.6614
Similarity to MM130089
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.7962 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228244
Similarity: 0.6051
Similarity to MM228244
| Tanimoto metric | 0.6051 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.754 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141893
Similarity: 0.5906
Similarity to MM141893
| Tanimoto metric | 0.5906 |
|---|---|
| Cosine metric | 0.7685 |
| Dice metric | 0.7426 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
