Common name
formyl(methyl)carbamic acid
IUPAC name
formyl(methyl)carbamic acid
SMILES
O=C(O)N(C=O)C
Common name
formyl(methyl)carbamic acid
IUPAC name
formyl(methyl)carbamic acid
SMILES
O=C(O)N(C=O)C
INCHI
InChI=1S/C3H5NO3/c1-4(2-5)3(6)7/h2H,1H3,(H,6,7)
FORMULA
C3H5NO3
Common name
formyl(methyl)carbamic acid
IUPAC name
formyl(methyl)carbamic acid
Molecular weight
103.077
clogP
-1.352
clogS
1.148
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
57.61
Number of Rings
0
Rotatable Bond
2
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imq_ligand_1_2.mol2 | 4imq | 0.818182 | -5.57 | CNC(=O)O | 5 |
| 4p6g_ligand_frag_3.mol2 | 4p6g | 0.818182 | -5.52 | C(=O)(NC)O | 5 |
| 4tmn_ligand_1_7.mol2 | 4tmn | 0.818182 | -5.49 | C(=O)(O)NC | 5 |
| 2pj1_ligand_1_2.mol2 | 2pj1 | 0.818182 | -5.42 | CNC(=O)O | 5 |
| 1ayu_ligand_1_4.mol2 | 1ayu | 0.818182 | -5.40 | O=C(O)NC | 5 |
270 ,
28
