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DocumentationIdentifier: MM262759
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262759 |
| SMILES |
C#CCC(C)(O)CC(=O)O
|
| InChIKey |
PVYBQYGLONXFQQ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220829
Similarity: 0.6957
Similarity to MM220829
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8205 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41053
Similarity: 0.6565
Similarity to MM41053
| Tanimoto metric | 0.6565 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.7926 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220831
Similarity: 0.6218
Similarity to MM220831
| Tanimoto metric | 0.6218 |
|---|---|
| Cosine metric | 0.7673 |
| Dice metric | 0.7668 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
