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DocumentationIdentifier: MM243254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243254 |
| SMILES |
C#CC(C)(COC)NC=N
|
| InChIKey |
XMKQHRZGAAJWRT-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139498
Similarity: 0.7462
Similarity to MM139498
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312730
Similarity: 0.6712
Similarity to MM312730
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.8033 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387730
Similarity: 0.6149
Similarity to MM387730
| Tanimoto metric | 0.6149 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7615 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
