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DocumentationIdentifier: MM328040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328040 |
| SMILES |
C=CC(O)CN(C=C)C=O
|
| InChIKey |
PDXIAEDLLVNPON-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141849
Similarity: 0.72
Similarity to MM141849
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328042
Similarity: 0.6892
Similarity to MM328042
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.816 |
| Dice metric | 0.816 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327828
Similarity: 0.6554
Similarity to MM327828
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.7918 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
