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DocumentationIdentifier: MM437946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437946 |
| SMILES |
CC(=O)CN1CC1(C)C
|
| InChIKey |
CQQJAIHBKRQRQT-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM249780
Similarity: 0.8411
Similarity to MM249780
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461735
Similarity: 0.8089
Similarity to MM461735
| Tanimoto metric | 0.8089 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364559
Similarity: 0.7323
Similarity to MM364559
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8455 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
