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DocumentationIdentifier: MM243012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243012 |
| SMILES |
C=CCC(O)(CN)CCC
|
| InChIKey |
SQUJJVTUCRDWOL-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68755
Similarity: 0.7887
Similarity to MM68755
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8819 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68756
Similarity: 0.7627
Similarity to MM68756
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68607
Similarity: 0.7258
Similarity to MM68607
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8411 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
