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DocumentationIdentifier: MM312836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312836 |
| SMILES |
C=CCC(C=O)(C=O)CO
|
| InChIKey |
XPZJTDPCDKZPIL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53075
Similarity: 0.7216
Similarity to MM53075
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37572
Similarity: 0.6186
Similarity to MM37572
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7643 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312840
Similarity: 0.6087
Similarity to MM312840
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7577 |
| Dice metric | 0.7568 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
