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DocumentationIdentifier: MM162009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162009 |
| SMILES |
COCCC(C)N(C)C
|
| InChIKey |
BKGKWFFONAZQFD-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301089
Similarity: 0.8537
Similarity to MM301089
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301279
Similarity: 0.8046
Similarity to MM301279
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112568
Similarity: 0.8
Similarity to MM112568
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 117.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
