Common name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
IUPAC name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
SMILES
[C@]1(OC(=O)NC1=O)(C)C=C
Common name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
IUPAC name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
SMILES
[C@]1(OC(=O)NC1=O)(C)C=C
INCHI
InChI=1S/C6H7NO3/c1-3-6(2)4(8)7-5(9)10-6/h3H,1H2,2H3,(H,7,8,9)/t6-/m0/s1
FORMULA
C6H7NO3
Common name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
IUPAC name
(5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
Molecular weight
141.125
clogP
0.806
clogS
-1.076
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
55.4
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03092 | vinclozolin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k4f_ligand_frag_1.mol2 | 4k4f | 0.607143 | -6.42 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4v_ligand_frag_1.mol2 | 4n4v | 0.607143 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
| 4n4t_ligand_frag_1.mol2 | 4n4t | 0.607143 | -6.27 | C1C(OC(=O)N1)(C)C | 8 |
| 1xm6_ligand_frag_0.mol2 | 1xm6 | 0.607143 | -5.72 | O=C1O[C@H](CN1)C | 7 |
| 2q55_ligand_frag_1.mol2 | 2q55 | 0.5 | -5.44 | C1OC(=O)NC1 | 6 |
| 2i0a_ligand_frag_2.mol2 | 2i0a | 0.5 | -5.33 | N1C(=O)OCC1 | 6 |
| 3mxe_ligand_frag_9.mol2 | 3mxe | 0.5 | -5.30 | N1CCOC1=O | 6 |
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.5 | -5.29 | C1OC(=O)NC1 | 6 |
102 ,
11
