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DocumentationIdentifier: MM211342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM211342 |
| SMILES |
C=CC(=O)C1CN1CC
|
| InChIKey |
YOFDGPAHHSLUSO-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437244
Similarity: 0.8654
Similarity to MM437244
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437250
Similarity: 0.8257
Similarity to MM437250
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124583
Similarity: 0.7611
Similarity to MM124583
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8644 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
