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DocumentationIdentifier: MM261179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261179 |
| SMILES |
NCCC(O)CC(N)CO
|
| InChIKey |
IAWLPEWGJLTLHO-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261178
Similarity: 0.8416
Similarity to MM261178
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.914 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261180
Similarity: 0.757
Similarity to MM261180
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8617 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244628
Similarity: 0.6923
Similarity to MM244628
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8182 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
