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DocumentationIdentifier: MM415344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415344 |
| SMILES |
C#CC1CN1C(C=O)CC
|
| InChIKey |
ULKVWRXSRKPSDL-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
MM412018
Similarity: 0.7853
Similarity to MM412018
| Tanimoto metric | 0.7853 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8797 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417805
Similarity: 0.698
Similarity to MM417805
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8222 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM211117
Similarity: 0.6949
Similarity to MM211117
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
