Common name
(2S)-2-naphthalen-2-yloxypropanamide
IUPAC name
(2S)-2-naphthalen-2-yloxypropanamide
SMILES
c1(cc2c(cc1)cccc2)O[C@@H](C)C(=O)N
Common name
(2S)-2-naphthalen-2-yloxypropanamide
IUPAC name
(2S)-2-naphthalen-2-yloxypropanamide
SMILES
c1(cc2c(cc1)cccc2)O[C@@H](C)C(=O)N
INCHI
InChI=1S/C13H13NO2/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,14,15)/t9-/m0/s1
FORMULA
C13H13NO2
Common name
(2S)-2-naphthalen-2-yloxypropanamide
IUPAC name
(2S)-2-naphthalen-2-yloxypropanamide
Molecular weight
215.248
clogP
2.161
clogS
-2.786
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02397 | naproanilide |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ixh_ligand_3_0.mol2 | 4ixh | 1 | -6.97 | [C@H](C)(C(=O)N)Oc1cccc2c1cccc2 | 16 |
| 4wcu_ligand_3_49.mol2 | 4wcu | 0.894737 | -6.59 | c1(ccccc1)OCC(=O)N | 11 |
| 1tqf_ligand_3_299.mol2 | 1tqf | 0.894737 | -6.01 | C(Oc1ccccc1)C(=O)N | 11 |
| 4dho_ligand_3_10.mol2 | 4dho | 0.894737 | -5.57 | C(Oc1ccccc1)C(=O)N | 11 |
| 4dhm_ligand_3_10.mol2 | 4dhm | 0.894737 | -5.54 | C(=O)(N)COc1ccccc1 | 11 |
| 4dhq_ligand_3_6.mol2 | 4dhq | 0.894737 | -5.54 | c1ccccc1OCC(=O)N | 11 |
| 4dhs_ligand_3_6.mol2 | 4dhs | 0.894737 | -5.54 | C(=O)(N)COc1ccccc1 | 11 |
| 4j51_ligand_3_25.mol2 | 4j51 | 0.894737 | -5.54 | C(=O)(N)COc1ccccc1 | 11 |
113 ,
12
