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DocumentationIdentifier: MM350987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350987 |
| SMILES |
CCC(O)C(=O)C(O)CO
|
| InChIKey |
BBTQRFXHPXOELT-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160787
Similarity: 0.7712
Similarity to MM160787
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8708 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348808
Similarity: 0.7254
Similarity to MM348808
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8408 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298078
Similarity: 0.7209
Similarity to MM298078
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8378 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
