PUBCHEM-ZINC05211924

MMsINC code: MMs03224449

• Type: Neutral
• Formula: C₄H₉O₄P
• SMILES: P(O)(=O)(CCC(O)=O)C
• InChI: InChI=1/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)

Potential Energy
Epot(MMFF94)=-16.0862 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 152.086 g/mol
• logS: 1.1106
• SlogP: -0.7089
• Reactive groups: 0

Topological Properties

• Globularity: 0.0865653
• Sterimol/B1: 2.41041
• Sterimol/B2: 2.65637
• Sterimol/B3: 3.38307
• Sterimol/B4: 4.18946
• Sterimol/L: 11.1342

Surface and Volume Properties

• Accessible surface: 323.213
• Positive charged surface: 195.607
• Negative charged surface: 127.605
• Volume: 127.125
• Hydrophobic surface: 123.828
• Hydrophilic surface: 199.385

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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