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Documentation2-hydroxy-3-methylbutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03667 |
| SMILES |
CC(C)C(O)C(=O)O
|
| InChIKey |
NGEWQZIDQIYUNV-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
99823
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM274851
Similarity: 0.7978
Similarity to MM274851
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8875 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8361 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
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| LogP: | -0.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM319387
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| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+387 more
