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DocumentationIdentifier: MM111486
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111486 |
| SMILES |
CCC(O)C(N)CO
|
| InChIKey |
PJBQQLVBENTUQY-UHFFFAOYSA-N
|
| MW [Da] |
119.16
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171783
Similarity: 0.8442
Similarity to MM171783
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108049
Similarity: 0.7746
Similarity to MM108049
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.873 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171782
Similarity: 0.7558
Similarity to MM171782
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
