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DocumentationIdentifier: MM102212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102212 |
| SMILES |
CC=CCN1CC1
|
| InChIKey |
BYGZASVDFRUAGE-UHFFFAOYSA-N
|
| MW [Da] |
97.16
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127158
Similarity: 0.8679
Similarity to MM127158
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127188
Similarity: 0.7931
Similarity to MM127188
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121361
Similarity: 0.7797
Similarity to MM121361
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
