ACROSORGANICS-ZINC01530488

MMsINC code: MMs00008923

• Type: Ionized
• Formula: C₄H₁₀O₄P-
• SMILES: P(OCC)(OCC)(=O)[O-]
• InChI: InChI=1/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)/p-1

Potential Energy
Epot(MMFF94)=-26.5754 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.094 g/mol
• logS: -0.2467
• SlogP: -0.5424
• Reactive groups: 0

Topological Properties

• Globularity: 0.0616198
• Sterimol/B1: 2.12428
• Sterimol/B2: 3.12546
• Sterimol/B3: 3.12813
• Sterimol/B4: 4.17917
• Sterimol/L: 12.1098

Surface and Volume Properties

• Accessible surface: 344.865
• Positive charged surface: 215.032
• Negative charged surface: 129.834
• Volume: 133.75
• Hydrophobic surface: 209.603
• Hydrophilic surface: 135.262

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 2
• 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