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DocumentationIdentifier: MM53842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53842 |
| SMILES |
CCCN(C)CC(O)CO
|
| InChIKey |
LHLKVYBMJMBOAE-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.32
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: 0.8667
Similarity to MM54188
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9286 |
| Dice metric | 0.9286 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53921
Similarity: 0.8506
Similarity to MM53921
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9193 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135102
Similarity: 0.7647
Similarity to MM135102
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
