Identifier: MM16359
2D Structure
3D Structure
Source:
General | |
Identifier | MM16359 |
SMILES |
C#CC(C#C)OCC(=O)O
|
InChIKey |
CLMRJVMSMHJOCX-UHFFFAOYSA-N
|
MW [Da] |
138.12
Automatically obtained from RDkit software. |
LogP |
-0.28
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
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Tanimoto metric | 0.907 |
---|---|
Cosine metric | 0.9524 |
Dice metric | 0.9512 |
MW: | 128.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.11 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM307573
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Tanimoto metric | 0.7573 |
---|---|
Cosine metric | 0.8629 |
Dice metric | 0.8619 |
MW: | 142.15 |
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---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.5 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
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Tanimoto metric | 0.7573 |
---|---|
Cosine metric | 0.8629 |
Dice metric | 0.8619 |
MW: | 142.15 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+120 more