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DocumentationIdentifier: MM400446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400446 |
| SMILES |
CC(=O)C1C(C)N1C
|
| InChIKey |
HDRUNJKYINELQG-UHFFFAOYSA-N
|
| MW [Da] |
113.16
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
MM304145
Similarity: 0.8343
Similarity to MM304145
| Tanimoto metric | 0.8343 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.9096 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454109
Similarity: 0.7744
Similarity to MM454109
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8728 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460610
Similarity: 0.7023
Similarity to MM460610
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.838 |
| Dice metric | 0.8251 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
