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DocumentationIdentifier: MM271957
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271957 |
| SMILES |
CCCC(CN)CC(C)O
|
| InChIKey |
AFIKWDWQLITVNU-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149668
Similarity: 0.8837
Similarity to MM149668
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325656
Similarity: 0.8
Similarity to MM325656
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8889 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325660
Similarity: 0.7547
Similarity to MM325660
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8602 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+512 more
