Ala-phe
2D Structure
3D Structure
Source:
General | |
Identifier | MM17762 |
SMILES |
CC(N)C(=O)NC(Cc1ccccc1)C(=O)O
|
InChIKey |
OMNVYXHOSHNURL-UHFFFAOYSA-N
|
MW [Da] |
236.27
Automatically obtained from RDkit software. |
LogP |
0.15
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
3061-88-9
Similarity: 0.9112
Similarity to 3061-88-9
Tanimoto metric | 0.9112 |
---|---|
Cosine metric | 0.9545 |
Dice metric | 0.9535 |
MW: | 252.27 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | -0.15 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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H-phe-phe-oh
Similarity: 0.8949
Similarity to H-phe-phe-oh
Tanimoto metric | 0.8949 |
---|---|
Cosine metric | 0.946 |
Dice metric | 0.9445 |
MW: | 312.37 |
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---|---|---|---|---|---|
PI: | 0
Total passive interactions
|
LogP: | 1.37 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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Mdl-28170
Similarity: 0.885
Similarity to Mdl-28170
Tanimoto metric | 0.885 |
---|---|
Cosine metric | 0.9407 |
Dice metric | 0.939 |
MW: | 264.33 |
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---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.78 |
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---|---|---|---|---|---|
AI: | 1
Total active interactions
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+53 more