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DocumentationIdentifier: MM415860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415860 |
| SMILES |
CC#CC(=O)C1NC1(C)C
|
| InChIKey |
POCOAHAACLIQFH-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM391101
Similarity: 0.8448
Similarity to MM391101
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411962
Similarity: 0.7716
Similarity to MM411962
| Tanimoto metric | 0.7716 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.871 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402890
Similarity: 0.6992
Similarity to MM402890
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.823 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
