Common name
[(2S)-2-methylbutyl]phosphonous acid
IUPAC name
[(2S)-2-methylbutyl]phosphonous acid
SMILES
P(O)(O)C[C@H](CC)C
Common name
[(2S)-2-methylbutyl]phosphonous acid
IUPAC name
[(2S)-2-methylbutyl]phosphonous acid
SMILES
P(O)(O)C[C@H](CC)C
INCHI
InChI=1S/C5H13O2P/c1-3-5(2)4-8(6)7/h5-7H,3-4H2,1-2H3/t5-/m0/s1
FORMULA
C5H13O2P
Common name
[(2S)-2-methylbutyl]phosphonous acid
IUPAC name
[(2S)-2-methylbutyl]phosphonous acid
Molecular weight
136.129
clogP
0.832
clogS
-0.442
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
54.05
Number of Rings
0
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bxq_ligand_3_596.mol2 | 1bxq | 1 | -6.32 | C(C)(C)CCP(O)O | 8 |
| 1ppm_ligand_3_314.mol2 | 1ppm | 1 | -6.32 | P(O)(O)CCC(C)C | 8 |
| 1ppk_ligand_3_354.mol2 | 1ppk | 1 | -6.30 | P(O)(O)CCC(C)C | 8 |
| 1ppl_ligand_3_510.mol2 | 1ppl | 1 | -6.29 | P(O)(O)CCC(C)C | 8 |
| 1ent_ligand_3_760.mol2 | 1ent | 1 | -6.20 | C(C)(C)CCP(O)O | 8 |
| 1gvw_ligand_3_760.mol2 | 1gvw | 1 | -6.18 | C(CP(O)O)C(C)C | 8 |
| 2pj5_ligand_4_369.mol2 | 2pj5 | 1 | -6.09 | P(O)(O)CCCC | 7 |
| 1hv5_ligand_4_1895.mol2 | 1hv5 | 1 | -5.93 | C(CCP(O)O)C | 7 |
| 2pjc_ligand_2_63.mol2 | 2pjc | 0.785714 | -6.35 | C(P(O)O)C(C)C | 7 |
132 ,
14
