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DocumentationIdentifier: MM71553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71553 |
| SMILES |
CCCOCC(CN)NC
|
| InChIKey |
BBOMGJFOTHJACO-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402159
Similarity: 0.8602
Similarity to MM402159
| Tanimoto metric | 0.8602 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9249 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70074
Similarity: 0.7788
Similarity to MM70074
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8757 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339778
Similarity: 0.767
Similarity to MM339778
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8681 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
