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DocumentationIdentifier: MM383550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383550 |
| SMILES |
C=CC(=CC#N)C(O)CC
|
| InChIKey |
LQXRLZNYDINCLE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180645
Similarity: 0.7591
Similarity to MM180645
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175170
Similarity: 0.7007
Similarity to MM175170
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.824 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86507
Similarity: 0.631
Similarity to MM86507
| Tanimoto metric | 0.631 |
|---|---|
| Cosine metric | 0.7737 |
| Dice metric | 0.7737 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
