ENAMINE-ZINC03065283

MMsINC code: MMs01289355

• Type: Neutral
• Formula: C₆H₁₃O₆P
• SMILES: P1(OCCOCCOCCO1)(O)=O
• InChI: InChI=1/C6H13O6P/c7-13(8)11-5-3-9-1-2-10-4-6-12-13/h1-6H2,(H,7,8)

Potential Energy
Epot(MMFF94)=33.5252 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 212.138 g/mol
• logS: 0.04512
• SlogP: -0.9034
• Reactive groups: 0

Topological Properties

• Globularity: 0.14645
• Sterimol/B1: 2.62222
• Sterimol/B2: 3.39074
• Sterimol/B3: 4.05111
• Sterimol/B4: 5.55927
• Sterimol/L: 10.4752

Surface and Volume Properties

• Accessible surface: 362.281
• Positive charged surface: 281.791
• Negative charged surface: 80.4903
• Volume: 171.5
• Hydrophobic surface: 247.384
• Hydrophilic surface: 114.897

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 6
• 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