NIH-ZINC00301406

MMsINC code: MMs02521195

• Type: Neutral
• Formula: C₅H₁₁O₃P
• SMILES: P(=O)(CCC(O)=O)(C)C
• InChI: InChI=1/C5H11O3P/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)

Potential Energy
Epot(MMFF94)=1.28673 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 150.114 g/mol
• logS: 1.01998
• SlogP: 0.0136
• Reactive groups: 0

Topological Properties

• Globularity: 0.111658
• Sterimol/B1: 2.45903
• Sterimol/B2: 2.86071
• Sterimol/B3: 3.74896
• Sterimol/B4: 4.95366
• Sterimol/L: 11.0945

Surface and Volume Properties

• Accessible surface: 333.061
• Positive charged surface: 205.15
• Negative charged surface: 127.91
• Volume: 138.875
• Hydrophobic surface: 161.718
• Hydrophilic surface: 171.343

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• 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