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DocumentationIdentifier: MM107163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107163 |
| SMILES |
COCC(N)CCN
|
| InChIKey |
SBSAJORKEKRLHZ-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155679
Similarity: 0.8
Similarity to MM155679
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97886
Similarity: 0.7679
Similarity to MM97886
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8687 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97853
Similarity: 0.6964
Similarity to MM97853
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 104.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+659 more
