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4-carboxymethylphenyl Acetyl-Gly-NMe2

2D Structure
3D Structure
Source:
General
Identifier MM01304
SMILES CN(C)C(=O)CNC(=O)Cc1ccc(C(=O)O)cc1
InChIKey GDAMBRWKLGWCQC-UHFFFAOYSA-N
MW [Da] 264.28

Automatically obtained from RDkit software.
LogP 0.13

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
4-carboxymethylphenyl Acetyl_NHMe
Similarity: 0.7368
Similarity to 4-carboxymethylphenyl Acetyl_NHMe
Tanimoto metric 0.7368
Cosine metric 0.8584
Dice metric 0.8485
MW:
193.2
PI:
4
Total passive interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 3
4-carboxymethylphenyl Acetyl_NHMe
 4
LogP:
0.67
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 0
4-carboxymethylphenyl Acetyl_NHMe
 0
4-carboxymethylphenyl Acetyl-NMe2
Similarity: 0.7335
Similarity to 4-carboxymethylphenyl Acetyl-NMe2
Tanimoto metric 0.7335
Cosine metric 0.852
Dice metric 0.8463
MW:
207.23
PI:
2
Total passive interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 3
4-carboxymethylphenyl Acetyl-NMe2
 2
LogP:
1.02
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 0
4-carboxymethylphenyl Acetyl-NMe2
 0
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
Similarity: 0.7079
Similarity to [4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
Tanimoto metric 0.7079
Cosine metric 0.8306
Dice metric 0.8289
MW:
278.31
PI:
1
Total passive interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 3
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
 1
LogP:
0.06
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl-Gly-NMe2
 0
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
 0
+16 more

No data

Methods

Computed
Q-based
Experimental
Permeability

No data

No transporter data found.