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DocumentationIdentifier: MM358167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358167 |
| SMILES |
CCC(=O)C(O)C#CCO
|
| InChIKey |
YCLJRLLOVIIQAQ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174623
Similarity: 0.8559
Similarity to MM174623
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358165
Similarity: 0.8047
Similarity to MM358165
| Tanimoto metric | 0.8047 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8918 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163575
Similarity: 0.7712
Similarity to MM163575
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8708 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
