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DocumentationIdentifier: MM193862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM193862 |
| SMILES |
CNCC(C)OC1CC1
|
| InChIKey |
VJVGUOWUJCPYRV-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM120867
Similarity: 0.764
Similarity to MM120867
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8662 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208356
Similarity: 0.7083
Similarity to MM208356
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8293 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152117
Similarity: 0.6296
Similarity to MM152117
| Tanimoto metric | 0.6296 |
|---|---|
| Cosine metric | 0.7728 |
| Dice metric | 0.7727 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
