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DocumentationIdentifier: MM85609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85609 |
| SMILES |
COC(=CCCCN)CO
|
| InChIKey |
VLHPPXOWOPHMKU-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170977
Similarity: 0.75
Similarity to MM170977
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436199
Similarity: 0.7222
Similarity to MM436199
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8387 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346562
Similarity: 0.6855
Similarity to MM346562
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8134 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
