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DocumentationIdentifier: MM90764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90764 |
| SMILES |
CC(=CCCO)C(=O)CO
|
| InChIKey |
PTSLIRDSWPAXED-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175448
Similarity: 0.9174
Similarity to MM175448
| Tanimoto metric | 0.9174 |
|---|---|
| Cosine metric | 0.9578 |
| Dice metric | 0.9569 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360689
Similarity: 0.8197
Similarity to MM360689
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.9009 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354579
Similarity: 0.7907
Similarity to MM354579
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8831 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
