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DocumentationIdentifier: MM418248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418248 |
| SMILES |
C#CC(=O)CCC1CN1C
|
| InChIKey |
PXMKVWYYVLEFDL-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438912
Similarity: 0.7945
Similarity to MM438912
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426115
Similarity: 0.6591
Similarity to MM426115
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7945 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354419
Similarity: 0.5959
Similarity to MM354419
| Tanimoto metric | 0.5959 |
|---|---|
| Cosine metric | 0.7719 |
| Dice metric | 0.7468 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
