Common name
4-methoxy-N-phenyl-benzamide
IUPAC name
4-methoxy-N-phenyl-benzamide
SMILES
c1(ccc(cc1)OC)C(=O)Nc2ccccc2
Common name
4-methoxy-N-phenyl-benzamide
IUPAC name
4-methoxy-N-phenyl-benzamide
SMILES
c1(ccc(cc1)OC)C(=O)Nc2ccccc2
INCHI
InChI=1S/C14H13NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
FORMULA
C14H13NO2
Common name
4-methoxy-N-phenyl-benzamide
IUPAC name
4-methoxy-N-phenyl-benzamide
Molecular weight
227.259
clogP
2.618
clogS
-3.688
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01073 | Encainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Encainide is a class Ic antiarrhythmic agent which was used for management of irregular heartbeats, such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jvq_ligand_3_51.mol2 | 4jvq | 1 | -7.37 | c1(ccc(cc1)OC)C(=O)Nc1ccccc1 | 17 |
| 4jmu_ligand_3_51.mol2 | 4jmu | 1 | -7.04 | O(C)c1ccc(C(=O)Nc2ccccc2)cc1 | 17 |
| 4jvq_ligand_4_60.mol2 | 4jvq | 0.96875 | -7.30 | O(C)c1ccc(cc1)C(=O)Nc1ccc(O)cc1 | 18 |
| 4jmu_ligand_4_60.mol2 | 4jmu | 0.96875 | -7.17 | O(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1 | 18 |
| 3fi2_ligand_3_66.mol2 | 3fi2 | 0.892308 | -7.35 | c1cc(ccc1)C(=O)Nc1ccc(OC)cc1 | 17 |
| 3fi3_ligand_3_9.mol2 | 3fi3 | 0.892308 | -7.28 | C(=O)(Nc1ccc(cc1)OC)c1ccccc1 | 17 |
| 4i9i_ligand_3_34.mol2 | 4i9i | 0.84058 | -8.15 | O(C)c1c(cccc1)NC(=O)c1ccccc1 | 17 |
| 4umq_ligand_4_111.mol2 | 4umq | 0.84058 | -8.09 | COc1c(C(=O)Nc2ccccc2)cccc1 | 17 |
| 4d2t_ligand_4_32.mol2 | 4d2t | 0.84058 | -8.03 | c1(ccccc1)NC(=O)c1c(cccc1)OC | 17 |
| 3fi2_ligand_3_65.mol2 | 3fi2 | 0.84058 | -7.38 | c1cc(ccc1)C(=O)Nc1cccc(OC)c1 | 17 |
106 ,
11
