Common name
[[(2R)-butan-2-yl]amino]phosphinothious acid
IUPAC name
[[(2R)-butan-2-yl]amino]phosphinothious acid
SMILES
N(PS)[C@@H](CC)C
Common name
[[(2R)-butan-2-yl]amino]phosphinothious acid
IUPAC name
[[(2R)-butan-2-yl]amino]phosphinothious acid
SMILES
N(PS)[C@@H](CC)C
INCHI
InChI=1S/C4H12NPS/c1-3-4(2)5-6-7/h4-7H,3H2,1-2H3/t4-/m1/s1
FORMULA
C4H12NPS
Common name
[[(2R)-butan-2-yl]amino]phosphinothious acid
IUPAC name
[[(2R)-butan-2-yl]amino]phosphinothious acid
Molecular weight
137.184
clogP
0.112
clogS
-1.350
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
50.83
Number of Rings
0
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wik_ligand_2_0.mol2 | 2wik | 0.454545 | -5.84 | C(CC)NPO | 6 |
| 4fmu_ligand_3_21.mol2 | 4fmu | 0.352941 | -6.26 | [C@@H]([NH3+])(C)CC | 5 |
| 2fdp_ligand_3_78.mol2 | 2fdp | 0.352941 | -6.18 | C([C@H](C)[NH3+])C | 5 |
| 2oah_ligand_3_164.mol2 | 2oah | 0.352941 | -6.17 | C([C@H](C)[NH3+])C | 5 |
| 1qaq_ligand_3_10.mol2 | 1qaq | 0.352941 | -6.11 | C[C@H](CC)[NH3+] | 5 |
| 2oah_ligand_3_171.mol2 | 2oah | 0.352941 | -6.10 | C[C@H](CC)[NH3+] | 5 |
| 3cbp_ligand_3_10.mol2 | 3cbp | 0.352941 | -6.04 | C[C@H](CC)[NH3+] | 5 |
| 3bx5_ligand_2_9.mol2 | 3bx5 | 0.352941 | -5.98 | C(C)[C@@H](C)[NH3+] | 5 |
| 2h2j_ligand_3_10.mol2 | 2h2j | 0.352941 | -5.94 | C[C@H](CC)[NH3+] | 5 |
| 1jqe_ligand_3_49.mol2 | 1jqe | 0.352941 | -5.90 | CC[C@@H](C)[NH3+] | 5 |
333 ,
34
