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DocumentationIdentifier: MM400661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400661 |
| SMILES |
CC1C(C)N1CC(=O)O
|
| InChIKey |
ZOPYVMXAPFIKNR-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404301
Similarity: 0.8154
Similarity to MM404301
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395113
Similarity: 0.7182
Similarity to MM395113
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.836 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM184855
Similarity: 0.6584
Similarity to MM184855
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.794 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+7 more
