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DocumentationIdentifier: MM108081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108081 |
| SMILES |
COCC(O)C(C)N
|
| InChIKey |
LBOAXRIYQUTCOY-UHFFFAOYSA-N
|
| MW [Da] |
119.16
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161984
Similarity: 0.8046
Similarity to MM161984
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171848
Similarity: 0.7692
Similarity to MM171848
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171846
Similarity: 0.7692
Similarity to MM171846
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
