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DocumentationIdentifier: MM85923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85923 |
| SMILES |
CC(O)CCCCN
|
| InChIKey |
YTRVNXSHHAUIBX-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291086
Similarity: 0.7857
Similarity to MM291086
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165465
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Similarity to MM165465
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152468
Similarity: 0.7719
Similarity to MM152468
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+756 more
