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Documentation61370-50-1
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM467668 |
| SMILES |
CNC(C)C(=O)NC(C)C(=O)O
|
| InChIKey |
BNOGWBQUPQZAPG-UHFFFAOYSA-N
|
| MW [Da] |
174.2
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
L-alanyl-l-alanine
Similarity: 0.8873
Similarity to L-alanyl-l-alanine
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.9419 |
| Dice metric | 0.9403 |
| MW: | 160.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Ac-ala-ala-oh
Similarity: 0.887
Similarity to Ac-ala-ala-oh
| Tanimoto metric | 0.887 |
|---|---|
| Cosine metric | 0.9418 |
| Dice metric | 0.9401 |
| MW: | 202.21 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Ala-ala-ala
Similarity: 0.8127
Similarity to Ala-ala-ala
| Tanimoto metric | 0.8127 |
|---|---|
| Cosine metric | 0.9015 |
| Dice metric | 0.8967 |
| MW: | 231.25 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
