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Documentation2,2-dimethylbutanedioic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03656 |
| SMILES |
CC(C)(CC(=O)O)C(=O)O
|
| InChIKey |
GOHPTLYPQCTZSE-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
11701
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258322
Similarity: 0.781
Similarity to MM258322
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247529
Similarity: 0.7213
Similarity to MM247529
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8381 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228456
Similarity: 0.7213
Similarity to MM228456
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8381 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
