Identifier: MM27134
2D Structure
3D Structure
Source:
General | |
Identifier | MM27134 |
SMILES |
CC(C)C(=O)CO
|
InChIKey |
NBEGXSQMVJTIAR-UHFFFAOYSA-N
|
MW [Da] |
102.13
Automatically obtained from RDkit software. |
LogP |
0.2
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM28366
Similarity: 0.7778
Similarity to MM28366
Tanimoto metric | 0.7778 |
---|---|
Cosine metric | 0.8819 |
Dice metric | 0.875 |
MW: | 116.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.59 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM24644
Similarity: 0.7143
Similarity to MM24644
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 88.11 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | -0.04 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM111896
Similarity: 0.6774
Similarity to MM111896
Tanimoto metric | 0.6774 |
---|---|
Cosine metric | 0.8231 |
Dice metric | 0.8077 |
MW: | 116.12 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | -0.62 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+356 more