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DocumentationIdentifier: MM352403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352403 |
| SMILES |
C=CC(=O)C(=C)C(O)C=C
|
| InChIKey |
MNASQELQKYSKSL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.84
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: 0.8207
Similarity to MM47624
| Tanimoto metric | 0.8207 |
|---|---|
| Cosine metric | 0.9059 |
| Dice metric | 0.9015 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161057
Similarity: 0.8138
Similarity to MM161057
| Tanimoto metric | 0.8138 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352011
Similarity: 0.6798
Similarity to MM352011
| Tanimoto metric | 0.6798 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.8094 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
