NCID-ZINC01726636

MMsINC code: MMs02350347

• Type: Neutral
• Formula: C₅H₁₁O₄P
• SMILES: P1(OCC(CO1)(C)C)(O)=O
• InChI: InChI=1/C5H11O4P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3,(H,6,7)

Potential Energy
Epot(MMFF94)=-26.0051 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 166.113 g/mol
• logS: -0.27491
• SlogP: 0.0896
• Reactive groups: 0

Topological Properties

• Globularity: 0.299767
• Sterimol/B1: 3.1123
• Sterimol/B2: 3.46818
• Sterimol/B3: 3.72831
• Sterimol/B4: 3.92487
• Sterimol/L: 9.65262

Surface and Volume Properties

• Accessible surface: 317.594
• Positive charged surface: 201.084
• Negative charged surface: 116.51
• Volume: 139.625
• Hydrophobic surface: 164.636
• Hydrophilic surface: 152.958

Pharmacophoric Properties

• Hydrogen bond donors: 2
• 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