Common name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
IUPAC name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
SMILES
C(C(O)c1ccccc1)NC=O
Common name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
IUPAC name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
SMILES
C(C(O)c1ccccc1)NC=O
INCHI
InChI=1S/C9H11NO2/c11-7-10-6-9(12)8-4-2-1-3-5-8/h1-5,7,9,12H,6H2,(H,10,11)/t9-/m1/s1
FORMULA
C9H11NO2
Common name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
IUPAC name
N-[(2S)-2-hydroxy-2-phenyl-ethyl]formamide
Molecular weight
165.189
clogP
1.081
clogS
-1.510
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00099 | Midodrine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of symptomatic orthostatic hypotension (OH). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gmy_ligand_3_64.mol2 | 1gmy | 0.795455 | -6.32 | c1(cccc(c1)C)CCNC=O | 12 |
| 1mj7_ligand_3_0.mol2 | 1mj7 | 0.785714 | -7.34 | N(C=O)CCc1ccccc1 | 11 |
| 2xfk_ligand_3_203.mol2 | 2xfk | 0.785714 | -7.32 | C(=O)NCCc1ccccc1 | 11 |
| 2xfi_ligand_3_130.mol2 | 2xfi | 0.785714 | -7.27 | c1(ccccc1)CCNC=O | 11 |
| 2viz_ligand_3_167.mol2 | 2viz | 0.785714 | -7.25 | C(=O)NCCc1ccccc1 | 11 |
| 2vj9_ligand_3_86.mol2 | 2vj9 | 0.785714 | -7.24 | C(CNC=O)c1ccccc1 | 11 |
| 1qf1_ligand_3_113.mol2 | 1qf1 | 0.785714 | -7.23 | c1(ccccc1)CCNC=O | 11 |
| 2vj6_ligand_3_137.mol2 | 2vj6 | 0.785714 | -7.23 | C(=O)NCCc1ccccc1 | 11 |
| 2xfj_ligand_3_137.mol2 | 2xfj | 0.785714 | -7.23 | C(Cc1ccccc1)NC=O | 11 |
| 2viy_ligand_3_90.mol2 | 2viy | 0.785714 | -7.22 | c1(ccccc1)CCNC=O | 11 |
293 ,
30
