PUBCHEM-ZINC05353774

MMsINC code: MMs03246236

• Type: Neutral
• Formula: C₄H₁₁O₄P
• SMILES: P(OC(C)(C)C)(O)(O)=O
• InChI: InChI=1/C4H11O4P/c1-4(2,3)8-9(5,6)7/h1-3H3,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-55.5196 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.102 g/mol
• logS: -0.15721
• SlogP: -0.176
• Reactive groups: 0

Topological Properties

• Globularity: 0.291359
• Sterimol/B1: 2.18769
• Sterimol/B2: 2.41812
• Sterimol/B3: 4.27173
• Sterimol/B4: 4.67643
• Sterimol/L: 9.52203

Surface and Volume Properties

• Accessible surface: 316.289
• Positive charged surface: 187.028
• Negative charged surface: 129.26
• Volume: 129.625
• Hydrophobic surface: 126.337
• Hydrophilic surface: 189.952

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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