Common name
N-[(4-hydroxyphenyl)methyl]acetamide
IUPAC name
N-[(4-hydroxyphenyl)methyl]acetamide
SMILES
CC(=O)NCc1ccc(cc1)O
Common name
N-[(4-hydroxyphenyl)methyl]acetamide
IUPAC name
N-[(4-hydroxyphenyl)methyl]acetamide
SMILES
CC(=O)NCc1ccc(cc1)O
INCHI
InChI=1S/C9H11NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h2-5,12H,6H2,1H3,(H,10,11)
FORMULA
C9H11NO2
Common name
N-[(4-hydroxyphenyl)methyl]acetamide
IUPAC name
N-[(4-hydroxyphenyl)methyl]acetamide
Molecular weight
165.189
clogP
1.228
clogS
-2.001
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01475 | Capsaicin |
|
Anesthetics, Local; Antipruritics; Anesthetics; Sensory System Agents; Musculo-Skeletal System; Nervous System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain. |
| FDBD01692 | Zucapsaicin |
|
Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od9_ligand_4_86.mol2 | 4od9 | 0.869565 | -6.26 | C(NC(=O)C)c1ccc(OC)cc1 | 13 |
| 2xdl_ligand_2_4.mol2 | 2xdl | 0.844444 | -7.17 | C(C)NC(=O)c1ccc(cc1)O | 12 |
| 2xdl_ligand_2_3.mol2 | 2xdl | 0.844444 | -7.14 | C(=O)(NCC)c1ccc(cc1)O | 12 |
| 1lf3_ligand_4_105.mol2 | 1lf3 | 0.844444 | -6.40 | N(C(=O)c1ccc(O)cc1)CC | 12 |
| 1rwx_ligand_4_490.mol2 | 1rwx | 0.844444 | -6.10 | C(NC(=O)c1ccc(cc1)O)C | 12 |
| 4lke_ligand_4_48.mol2 | 4lke | 0.844444 | -5.56 | c1(ccc(cc1)O)C(=O)NCC | 12 |
| 4yw6_ligand_4_99.mol2 | 4yw6 | 0.844444 | -5.56 | Oc1ccc(C(=O)NCC)cc1 | 12 |
| 4lkd_ligand_4_224.mol2 | 4lkd | 0.844444 | -5.51 | C(NC(=O)c1ccc(cc1)O)C | 12 |
| 4lkf_ligand_4_224.mol2 | 4lkf | 0.844444 | -5.47 | CCNC(=O)c1ccc(cc1)O | 12 |
| 4prg_ligand_4_1011.mol2 | 4prg | 0.825 | -7.11 | c1(ccccc1)CN(C)C(=O)C | 12 |
102 ,
11
