Common name
methyl 2-formamidoacetate
IUPAC name
methyl 2-formamidoacetate
SMILES
C(NC=O)C(=O)OC
Common name
methyl 2-formamidoacetate
IUPAC name
methyl 2-formamidoacetate
SMILES
C(NC=O)C(=O)OC
INCHI
InChI=1S/C4H7NO3/c1-8-4(7)2-5-3-6/h3H,2H2,1H3,(H,5,6)
FORMULA
C4H7NO3
Common name
methyl 2-formamidoacetate
IUPAC name
methyl 2-formamidoacetate
Molecular weight
117.103
clogP
-0.495
clogS
-0.309
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
55.4
Number of Rings
0
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5e8f_ligand_1_17.mol2 | 5e8f | 1 | -5.33 | C(=O)NCC(=O)OC | 8 |
| 2vcg_ligand_1_2.mol2 | 2vcg | 1 | -5.31 | C(C(=O)OC)NC=O | 8 |
| 1c3i_ligand_1_5.mol2 | 1c3i | 1 | -5.24 | C(C(=O)OC)NC=O | 8 |
| 1hbv_ligand_1_10.mol2 | 1hbv | 1 | -5.18 | C(C(=O)OC)NC=O | 8 |
| 4nj3_ligand_1_2.mol2 | 4nj3 | 1 | -5.18 | C(C(=O)OC)NC=O | 8 |
| 1siv_ligand_1_13.mol2 | 1siv | 1 | -5.17 | C(=O)NCC(=O)OC | 8 |
| 4l7u_ligand_1_2.mol2 | 4l7u | 1 | -5.17 | C(C(=O)OC)NC=O | 8 |
| 1jik_ligand_2_22.mol2 | 1jik | 1 | -5.13 | COC(=O)CNC=O | 8 |
| 1aaq_ligand_1_13.mol2 | 1aaq | 1 | -5.09 | C(C(=O)OC)NC=O | 8 |
101 ,
11
