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DocumentationIdentifier: MM448058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448058 |
| SMILES |
CCC(=O)C1(C)NC1C
|
| InChIKey |
JPXQGEOIHGWHIX-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380127
Similarity: 0.749
Similarity to MM380127
| Tanimoto metric | 0.749 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8565 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM421898
Similarity: 0.636
Similarity to MM421898
| Tanimoto metric | 0.636 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7775 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412081
Similarity: 0.6307
Similarity to MM412081
| Tanimoto metric | 0.6307 |
|---|---|
| Cosine metric | 0.7774 |
| Dice metric | 0.7735 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
