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DocumentationIdentifier: MM261125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261125 |
| SMILES |
CC(CCO)CC(N)CO
|
| InChIKey |
DAUPZMBQAFFWNE-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141491
Similarity: 0.869
Similarity to MM141491
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325597
Similarity: 0.8111
Similarity to MM325597
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8957 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361716
Similarity: 0.7938
Similarity to MM361716
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8851 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
