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DocumentationIdentifier: MM261178
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261178 |
| SMILES |
CCCC(O)CC(N)CO
|
| InChIKey |
PKNBBJGLUYEASV-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261179
Similarity: 0.8416
Similarity to MM261179
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.914 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.59 |
||||
|---|---|---|---|---|---|
| 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
|
MM135057
Similarity: 0.7204
Similarity to MM135057
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
