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DocumentationIdentifier: MM346302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346302 |
| SMILES |
CCC(C)(C=O)CN1CC1
|
| InChIKey |
RZTXVQGBSNVTIR-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373845
Similarity: 0.7937
Similarity to MM373845
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152186
Similarity: 0.6905
Similarity to MM152186
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373300
Similarity: 0.6733
Similarity to MM373300
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8048 |
| Dice metric | 0.8048 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
