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DocumentationMethyldopa
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM17761 |
| SMILES |
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O
|
| InChIKey |
CJCSPKMFHVPWAR-UHFFFAOYSA-N
|
| MW [Da] |
211.22
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
L-dopa
Similarity: 0.8649
Similarity to L-dopa
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9276 |
| MW: | 197.19 |
||||
|---|---|---|---|---|---|
| PI: | 14
Total passive interactions
|
| LogP: | 0.05 |
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|---|---|---|---|---|---|
| AI: | 4
Total active interactions
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Similarity: 0.8635
Similarity to Carbidopa
| Tanimoto metric | 0.8635 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 226.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
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|---|---|---|---|---|---|
| AI: | 3
Total active interactions
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L-alpha-methyltyrosine
Similarity: 0.8103
Similarity to L-alpha-methyltyrosine
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 195.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 1
Total active interactions
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+21 more
