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DocumentationIdentifier: MM317252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317252 |
| SMILES |
C#CC(=O)CCC(O)CC
|
| InChIKey |
UUUVOQIBNCAAHO-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144778
Similarity: 0.8421
Similarity to MM144778
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318197
Similarity: 0.7568
Similarity to MM318197
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8615 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250834
Similarity: 0.7524
Similarity to MM250834
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8587 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
