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DocumentationIdentifier: MM46073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46073 |
| SMILES |
C=C(CCC=O)OC=O
|
| InChIKey |
MKQFXBQXDBIDPL-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107392
Similarity: 0.7949
Similarity to MM107392
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262839
Similarity: 0.7429
Similarity to MM262839
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156542
Similarity: 0.6889
Similarity to MM156542
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8158 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
