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DocumentationIdentifier: MM261311
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261311 |
| SMILES |
CN(CCN)CC(O)CO
|
| InChIKey |
XKBXZUYIWPVEPE-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54188
Similarity: 0.75
Similarity to MM54188
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8571 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53842
Similarity: 0.7358
Similarity to MM53842
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8478 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223091
Similarity: 0.6639
Similarity to MM223091
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.798 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
