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DocumentationIdentifier: MM291171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291171 |
| SMILES |
CNCC(O)COCCN
|
| InChIKey |
MOTKEJVAGCCWEA-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155683
Similarity: 0.9024
Similarity to MM155683
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291172
Similarity: 0.8315
Similarity to MM291172
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70598
Similarity: 0.8315
Similarity to MM70598
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+595 more
