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DocumentationIdentifier: MM350967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350967 |
| SMILES |
C=C(C(N)CN)C(O)CC
|
| InChIKey |
LYVXPGNQYNCOCF-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160758
Similarity: 0.7973
Similarity to MM160758
| Tanimoto metric | 0.7973 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160765
Similarity: 0.7635
Similarity to MM160765
| Tanimoto metric | 0.7635 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351134
Similarity: 0.674
Similarity to MM351134
| Tanimoto metric | 0.674 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8053 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
