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DocumentationIdentifier: MM400791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400791 |
| SMILES |
CCC(=O)C1NC1CC
|
| InChIKey |
VNIVXGBAQAOQEF-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
MM388447
Similarity: 0.8497
Similarity to MM388447
| Tanimoto metric | 0.8497 |
|---|---|
| Cosine metric | 0.919 |
| Dice metric | 0.9187 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410063
Similarity: 0.8483
Similarity to MM410063
| Tanimoto metric | 0.8483 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389542
Similarity: 0.7862
Similarity to MM389542
| Tanimoto metric | 0.7862 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8803 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
