PUBCHEM-ZINC05701293

MMsINC code: MMs03353422

• Type: Neutral
• Formula: C₂H₇O₂PS
• SMILES: S=[PH](OC)OC
• InChI: InChI=1/C2H7O2PS/c1-3-5(6)4-2/h5H,1-2H3

Potential Energy
Epot(MMFF94)=5.35566 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 126.116 g/mol
• logS: -1.47599
• SlogP: 0.7853
• Reactive groups: 0

Topological Properties

• Globularity: 0.0847282
• Sterimol/B1: 2.22736
• Sterimol/B2: 2.32408
• Sterimol/B3: 2.99929
• Sterimol/B4: 4.49777
• Sterimol/L: 9.66204

Surface and Volume Properties

• Accessible surface: 286.432
• Positive charged surface: 180.26
• Negative charged surface: 106.172
• Volume: 105
• Hydrophobic surface: 197.448
• Hydrophilic surface: 88.984

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 0

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1