Common name
1,2-oxazolidine
IUPAC name
1,2-oxazolidine
SMILES
C1CCON1
Common name
1,2-oxazolidine
IUPAC name
1,2-oxazolidine
SMILES
C1CCON1
INCHI
InChI=1S/C3H7NO/c1-2-4-5-3-1/h4H,1-3H2
FORMULA
C3H7NO
Common name
1,2-oxazolidine
IUPAC name
1,2-oxazolidine
Molecular weight
74.102
clogP
1.458
clogS
-0.371
Frequency
0.0017
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
25.84
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02324 | afoxolaner |
|
Insecticide | Insecticide |
| FDBD02335 | fluralaner |
|
Insecticide | Insecticide |
| FDBD02336 | fluxametamide |
|
Insecticide | Insecticide |
| FDBD02612 | topramezone |
|
Herbicide | Herbicide |
| FDBD03185 | oxathiapiprolin |
|
Fungicide | Fungicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k9g_ligand_frag_1.mol2 | 4k9g | 1 | -5.75 | C1[NH2+]OCC1 | 5 |
| 3fnm_ligand_frag_1.mol2 | 3fnm | 1 | -5.33 | C1O[NH2+]CC1 | 5 |
| 4k9g_ligand_1_1.mol2 | 4k9g | 0.833333 | -6.11 | C[C@H]1O[NH2+]CC1 | 6 |
| 4mm9_ligand_4_179.mol2 | 4mm9 | 0.619048 | -5.73 | CO[NH2+]CCC | 6 |
| 2on3_ligand.mol2 | 2on3 | 0.619048 | -5.72 | [NH3+]CCCO[NH3+] | 7 |
| 1yw2_ligand_1_1.mol2 | 1yw2 | 0.571429 | -5.54 | C[N@H+]1CCC(=O)O1 | 7 |
| 1pb9_ligand.mol2 | 1pb9 | 0.540541 | -6.64 | O=C1NOC[C@H]1[NH3+] | 8 |
| 4mm9_ligand_3_104.mol2 | 4mm9 | 0.5 | -5.54 | CO[NH2+]CC | 5 |
| 3bel_ligand_3_81.mol2 | 3bel | 0.5 | -5.13 | O([NH2+]C)CC | 5 |
| 4czs_ligand_3_3.mol2 | 4czs | 0.5 | -5.03 | C(C)O[NH2+]C | 5 |
151 ,
16
