Log in
Browse
Membranes
Methods
Transporters
Sets
Search
Statistics
Lab
Documentation

Alpha-Carbamoyl-p-Toluic Acid

2D Structure
3D Structure
Source:
General
Identifier MM01303
SMILES NC(=O)Cc1ccc(C(=O)O)cc1
InChIKey YMKXCDDRWMQOBA-UHFFFAOYSA-N
MW [Da] 179.18

Automatically obtained from RDkit software.
LogP 0.41

Automatically obtained from RDkit software.
Links

PubChem

 23273690

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
4-carboxymethylphenyl Acetyl_NHMe
Similarity: 0.8992
Similarity to 4-carboxymethylphenyl Acetyl_NHMe
Tanimoto metric 0.8992
Cosine metric 0.9482
Dice metric 0.9469
MW:
193.2
PI:
4
Total passive interactions
Alpha-Carbamoyl-p-Toluic Acid
 4
4-carboxymethylphenyl Acetyl_NHMe
 4
LogP:
0.67
AI:
0
Total active interactions
Alpha-Carbamoyl-p-Toluic Acid
 0
4-carboxymethylphenyl Acetyl_NHMe
 0
4-carboxymethylphenyl Acetyl-NMe2
Similarity: 0.8359
Similarity to 4-carboxymethylphenyl Acetyl-NMe2
Tanimoto metric 0.8359
Cosine metric 0.9143
Dice metric 0.9106
MW:
207.23
PI:
2
Total passive interactions
Alpha-Carbamoyl-p-Toluic Acid
 4
4-carboxymethylphenyl Acetyl-NMe2
 2
LogP:
1.02
AI:
0
Total active interactions
Alpha-Carbamoyl-p-Toluic Acid
 0
4-carboxymethylphenyl Acetyl-NMe2
 0
Alpha-Carboxy-p-Toluic Acid
Similarity: 0.7276
Similarity to Alpha-Carboxy-p-Toluic Acid
Tanimoto metric 0.7276
Cosine metric 0.8424
Dice metric 0.8424
MW:
180.16
PI:
3
Total passive interactions
Alpha-Carbamoyl-p-Toluic Acid
 4
Alpha-Carboxy-p-Toluic Acid
 3
LogP:
1.01
AI:
0
Total active interactions
Alpha-Carbamoyl-p-Toluic Acid
 0
Alpha-Carboxy-p-Toluic Acid
 0
+41 more

No data

Methods

Computed
Q-based
QSAR
Experimental
Permeability

No data

No transporter data found.