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DocumentationIdentifier: MM349284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349284 |
| SMILES |
C=CC(=C)C(O)C(N)CC
|
| InChIKey |
RXPXULBJKNKQIU-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160439
Similarity: 0.7947
Similarity to MM160439
| Tanimoto metric | 0.7947 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.8856 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75160
Similarity: 0.755
Similarity to MM75160
| Tanimoto metric | 0.755 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8604 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296828
Similarity: 0.7333
Similarity to MM296828
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8462 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
