Common name
4-propoxyphenol
IUPAC name
4-propoxyphenol
SMILES
C(CC)Oc1ccc(cc1)O
Common name
4-propoxyphenol
IUPAC name
4-propoxyphenol
SMILES
C(CC)Oc1ccc(cc1)O
INCHI
InChI=1S/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H3
FORMULA
C9H12O2
Common name
4-propoxyphenol
IUPAC name
4-propoxyphenol
Molecular weight
152.190
clogP
2.005
clogS
-2.137
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01818 | Pramocaine |
|
Dermatologicals; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | |
| FDBD01990 | pyriproxyfen |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_4_91.mol2 | 3fhe | 0.928571 | -7.42 | CCCOc1ccccc1 | 10 |
| 1xm6_ligand_3_9.mol2 | 1xm6 | 0.928571 | -7.29 | C(CC)Oc1ccccc1 | 10 |
| 3ipq_ligand_4_220.mol2 | 3ipq | 0.928571 | -7.02 | c1cccc(c1)OCCC | 10 |
| 1pq6_ligand_4_220.mol2 | 1pq6 | 0.928571 | -6.99 | O(CCC)c1ccccc1 | 10 |
| 1h3b_ligand_4_325.mol2 | 1h3b | 0.928571 | -6.86 | C(Oc1ccccc1)CC | 10 |
| 4f6x_ligand_4_57.mol2 | 4f6x | 0.928571 | -6.85 | c1cccc(c1)OCCC | 10 |
| 4h38_ligand_4_425.mol2 | 4h38 | 0.928571 | -6.84 | O(c1ccccc1)CCC | 10 |
115 ,
12
