4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
2D Structure
3D Structure
Source:
General | |
Identifier | MM00607 |
SMILES |
CN(C)C(=O)Cc1ccc(CC(=O)O)cc1
|
InChIKey |
WQKVKXUVNZSAEW-UHFFFAOYSA-N
|
MW [Da] |
221.26
Automatically obtained from RDkit software. |
LogP |
0.94
Automatically obtained from RDkit software. |
Links | |
PubChem |
14180953
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
Similarity: 0.9163
Similarity to 2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
Tanimoto metric | 0.9163 |
---|---|
Cosine metric | 0.9572 |
Dice metric | 0.9563 |
MW: | 207.23 |
||||
---|---|---|---|---|---|
PI: | 5
Total passive interactions
|
LogP: | 0.6 |
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AI: | 0
Total active interactions
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[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
Similarity: 0.6949
Similarity to [4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
Tanimoto metric | 0.6949 |
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Cosine metric | 0.8282 |
Dice metric | 0.82 |
MW: | 278.31 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
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LogP: | 0.06 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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4-carboxymethylphenyl Acetyl-NMe2
Similarity: 0.6354
Similarity to 4-carboxymethylphenyl Acetyl-NMe2
Tanimoto metric | 0.6354 |
---|---|
Cosine metric | 0.78 |
Dice metric | 0.7771 |
MW: | 207.23 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.02 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+20 more