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DocumentationIdentifier: MM324941
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM324941 |
| SMILES |
CC1(CCC(O)CN)CC1
|
| InChIKey |
XJASNXSXKFTGIT-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208904
Similarity: 0.785
Similarity to MM208904
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361973
Similarity: 0.757
Similarity to MM361973
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363334
Similarity: 0.7043
Similarity to MM363334
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8265 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
