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DocumentationIdentifier: MM432661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432661 |
| SMILES |
C=CC(=O)C1C(C)N1CC
|
| InChIKey |
VKPZRSFSDQRXQD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212289
Similarity: 0.8645
Similarity to MM212289
| Tanimoto metric | 0.8645 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316345
Similarity: 0.7782
Similarity to MM316345
| Tanimoto metric | 0.7782 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8752 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433035
Similarity: 0.7282
Similarity to MM433035
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.8427 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
