PUBCHEM-ZINC05827676

MMsINC code: MMs03403530

• Type: Neutral
• Formula: C₄H₇O₆P
• SMILES: [PH](O)(=O)C(CC(O)=O)C(O)=O
• InChI: InChI=1/C4H7O6P/c5-3(6)1-2(4(7)8)11(9)10/h2,11H,1H2,(H,5,6)(H,7,8)(H,9,10)/t2-/m0/s1

Potential Energy
Epot(MMFF94)=-18.2221 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 182.068 g/mol
• logS: 0.50343
• SlogP: -1.6889
• Reactive groups: 0

Topological Properties

• Globularity: 0.165601
• Sterimol/B1: 2.4916
• Sterimol/B2: 3.25762
• Sterimol/B3: 3.26265
• Sterimol/B4: 5.50539
• Sterimol/L: 9.93749

Surface and Volume Properties

• Accessible surface: 320.897
• Positive charged surface: 169.317
• Negative charged surface: 151.58
• Volume: 131.25
• Hydrophobic surface: 75.7757
• Hydrophilic surface: 245.1213

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 6
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

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