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DocumentationIdentifier: MM107454
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107454 |
| SMILES |
C=C(CC=O)OC=O
|
| InChIKey |
QIDDRNBQMSKPGJ-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98106
Similarity: 0.7385
Similarity to MM98106
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM15743
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Similarity to MM15743
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178626
Similarity: 0.7065
Similarity to MM178626
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
