Common name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
IUPAC name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILES
N(C(=O)CCl)[C@@H]1C(=O)OCC1
Common name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
IUPAC name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILES
N(C(=O)CCl)[C@@H]1C(=O)OCC1
INCHI
InChI=1S/C6H8ClNO3/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)/t4-/m0/s1
FORMULA
C6H8ClNO3
Common name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
IUPAC name
2-chloro-N-[(3S)-2-oxooxolan-3-yl]acetamide
Molecular weight
177.586
clogP
0.879
clogS
-1.407
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
55.4
Number of Rings
1
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e0p_ligand_4_310.mol2 | 3e0p | 0.573529 | -5.62 | CO[C@@H]1CCN(C1)C(=O)CC | 11 |
| 1heg_ligand_3_435.mol2 | 1heg | 0.56962 | -6.09 | [C@@H]1(CCOC(=O)[C@H]1NC(=O)C)C | 12 |
| 2oc7_ligand_1_3.mol2 | 2oc7 | 0.552632 | -6.14 | CC(=O)N1C[C@H]2[C@@H](C1)C(O2)(C)C | 12 |
| 3e0p_ligand_3_130.mol2 | 3e0p | 0.552239 | -5.48 | CO[C@@H]1CCN(C1)C(=O)C | 10 |
| 2oc7_ligand_frag_4.mol2 | 2oc7 | 0.539474 | -5.99 | C(=O)N1C[C@H]2[C@@H](C1)C(O2)(C)C | 11 |
| 1qji_ligand_frag_12.mol2 | 1qji | 0.539474 | -5.67 | C(=O)N1[C@@H](CCC1)C(=O)OC | 11 |
| 2oc7_ligand_4_175.mol2 | 2oc7 | 0.537634 | -6.62 | CC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NCC)C(O2)(C)C | 17 |
114 ,
12
