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DocumentationIdentifier: MM116585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116585 |
| SMILES |
C#CC(=NCC)NC
|
| InChIKey |
RASZAHQAMZDTRW-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179319
Similarity: 0.8353
Similarity to MM179319
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200228
Similarity: 0.7802
Similarity to MM200228
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180661
Similarity: 0.7717
Similarity to MM180661
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
