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DocumentationIdentifier: MM352011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352011 |
| SMILES |
C=CC(=O)C(=C)C(O)CC
|
| InChIKey |
UEUSSNXPDFSRAW-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47624
Similarity: 0.7727
Similarity to MM47624
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47553
Similarity: 0.7532
Similarity to MM47553
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298428
Similarity: 0.686
Similarity to MM298428
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8138 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
