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DocumentationIdentifier: MM62495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62495 |
| SMILES |
CN(C)CC=CC(N)CO
|
| InChIKey |
BGQMDWBYXZMWID-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79120
Similarity: 0.7125
Similarity to MM79120
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153561
Similarity: 0.7
Similarity to MM153561
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321028
Similarity: 0.6765
Similarity to MM321028
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.807 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
