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DocumentationIdentifier: MM155753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155753 |
| SMILES |
NCCC(O)CNC=O
|
| InChIKey |
WARLOPFBPHSGEO-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36111
Similarity: 0.8243
Similarity to MM36111
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165704
Similarity: 0.7683
Similarity to MM165704
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.869 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261573
Similarity: 0.74
Similarity to MM261573
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
