NCID-ZINC01732799

MMsINC code: MMs02355412

• Type: Ionized
• Formula: C₅H₁₀O₃P-
• SMILES: P(=O)([O-])(CCC(=O)C)C
• InChI: InChI=1/C5H11O3P/c1-5(6)3-4-9(2,7)8/h3-4H2,1-2H3,(H,7,8)/p-1

Potential Energy
Epot(MMFF94)=-2.40835 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 149.106 g/mol
• logS: 0.69621
• SlogP: -0.8365
• Reactive groups: 1

Topological Properties

• Globularity: 0.0785471
• Sterimol/B1: 3.13257
• Sterimol/B2: 3.13389
• Sterimol/B3: 3.29019
• Sterimol/B4: 3.6141
• Sterimol/L: 11.3597

Surface and Volume Properties

• Accessible surface: 331.439
• Positive charged surface: 181.178
• Negative charged surface: 150.261
• Volume: 135.375
• Hydrophobic surface: 197.351
• Hydrophilic surface: 134.088

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• 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