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DocumentationIdentifier: MM326126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326126 |
| SMILES |
C=CC(O)CC(CC)CN
|
| InChIKey |
ZXJDVYYESDRASK-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84487
Similarity: 0.7874
Similarity to MM84487
| Tanimoto metric | 0.7874 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8811 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79803
Similarity: 0.7642
Similarity to MM79803
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149668
Similarity: 0.717
Similarity to MM149668
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
