NIH-ZINC00301406

MMsINC code: MMs02521196

• Type: Ionized
• Formula: C₅H₁₀O₃P-
• 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)/p-1

Potential Energy
Epot(MMFF94)=6.38212 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 149.106 g/mol
• logS: 0.75953
• SlogP: -1.3211
• Reactive groups: 0

Topological Properties

• Globularity: 0.154516
• Sterimol/B1: 2.46995
• Sterimol/B2: 2.88375
• Sterimol/B3: 3.87518
• Sterimol/B4: 4.91164
• Sterimol/L: 10.6369

Surface and Volume Properties

• Accessible surface: 325.494
• Positive charged surface: 179.734
• Negative charged surface: 145.761
• Volume: 134.875
• Hydrophobic surface: 157.915
• Hydrophilic surface: 167.579

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