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DocumentationIdentifier: MM79590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79590 |
| SMILES |
C#CC(=N)NCC(C)OC
|
| InChIKey |
HQQUXQGEGPSCIH-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
MM80093
Similarity: 0.7966
Similarity to MM80093
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71982
Similarity: 0.6861
Similarity to MM71982
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.8139 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167050
Similarity: 0.678
Similarity to MM167050
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8081 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
