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DocumentationIdentifier: MM306888
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306888 |
| SMILES |
C=COCCC(O)C(=O)O
|
| InChIKey |
GGXRWPXOKCOMPX-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348919
Similarity: 0.6769
Similarity to MM348919
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8073 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316607
Similarity: 0.6321
Similarity to MM316607
| Tanimoto metric | 0.6321 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7746 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM333781
Similarity: 0.6154
Similarity to MM333781
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7645 |
| Dice metric | 0.7619 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
