PUBCHEM-ZINC05859032

MMsINC code: MMs03421358

• Type: Neutral
• Formula: C₆H₁₅O₆P
• SMILES: P(OCCOCCOCC)(O)(O)=O
• InChI: InChI=1/C6H15O6P/c1-2-10-3-4-11-5-6-12-13(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-47.8921 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 214.154 g/mol
• logS: 0.21193
• SlogP: -0.9214
• Reactive groups: 0

Topological Properties

• Globularity: 0.102871
• Sterimol/B1: 2.31509
• Sterimol/B2: 2.44568
• Sterimol/B3: 4.27398
• Sterimol/B4: 5.65005
• Sterimol/L: 13.4356

Surface and Volume Properties

• Accessible surface: 455.104
• Positive charged surface: 334.106
• Negative charged surface: 120.998
• Volume: 185.125
• Hydrophobic surface: 269.93
• Hydrophilic surface: 185.174

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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