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DocumentationIdentifier: MM160765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160765 |
| SMILES |
C=C(C(C)N)C(O)CC
|
| InChIKey |
ZPVVOKQZSLLJQR-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350967
Similarity: 0.7635
Similarity to MM350967
| Tanimoto metric | 0.7635 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253963
Similarity: 0.7197
Similarity to MM253963
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.837 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+613 more
