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DocumentationIdentifier: MM174104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174104 |
| SMILES |
C#CC(C)N(C)C=NC
|
| InChIKey |
FQVHSAWJGSDKOC-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85965
Similarity: 0.759
Similarity to MM85965
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412220
Similarity: 0.6975
Similarity to MM412220
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55276
Similarity: 0.6848
Similarity to MM55276
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8129 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
