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4-carboxymethylphenyl Acetyl_NHMe

2D Structure
3D Structure
Source:
General
Identifier MM01305
SMILES CNC(=O)Cc1ccc(C(=O)O)cc1
InChIKey YPRZYKHZGFQSPK-UHFFFAOYSA-N
MW [Da] 193.2

Automatically obtained from RDkit software.
LogP 0.67

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-NMe2
Similarity: 0.9297
Similarity to 4-carboxymethylphenyl Acetyl-NMe2
Tanimoto metric 0.9297
Cosine metric 0.9642
Dice metric 0.9636
MW:
207.23
PI:
2
Total passive interactions
4-carboxymethylphenyl Acetyl_NHMe
 4
4-carboxymethylphenyl Acetyl-NMe2
 2
LogP:
1.02
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl_NHMe
 0
4-carboxymethylphenyl Acetyl-NMe2
 0
Alpha-Carbamoyl-p-Toluic Acid
Similarity: 0.8992
Similarity to Alpha-Carbamoyl-p-Toluic Acid
Tanimoto metric 0.8992
Cosine metric 0.9482
Dice metric 0.9469
MW:
179.18
PI:
4
Total passive interactions
4-carboxymethylphenyl Acetyl_NHMe
 4
Alpha-Carbamoyl-p-Toluic Acid
 4
LogP:
0.41
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl_NHMe
 0
Alpha-Carbamoyl-p-Toluic Acid
 0
4-carboxymethylphenyl Acetyl-Gly-NMe2
Similarity: 0.7368
Similarity to 4-carboxymethylphenyl Acetyl-Gly-NMe2
Tanimoto metric 0.7368
Cosine metric 0.8584
Dice metric 0.8485
MW:
264.28
PI:
3
Total passive interactions
4-carboxymethylphenyl Acetyl_NHMe
 4
4-carboxymethylphenyl Acetyl-Gly-NMe2
 3
LogP:
0.13
AI:
0
Total active interactions
4-carboxymethylphenyl Acetyl_NHMe
 0
4-carboxymethylphenyl Acetyl-Gly-NMe2
 0
+41 more

No data

Methods

Computed
Q-based
QSAR
Experimental
Permeability

No data

No transporter data found.