PUBCHEM-ZINC01995147

MMsINC code: MMs02838444

• Type: Neutral
• Formula: C₆H₁₅O₄P
• SMILES: P(OCCC)(OCCC)(O)=O
• InChI: InChI=1/C6H15O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H,7,8)

Potential Energy
Epot(MMFF94)=-42.2447 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 182.156 g/mol
• logS: -0.57872
• SlogP: 0.8698
• Reactive groups: 0

Topological Properties

• Globularity: 0.0464393
• Sterimol/B1: 2.89118
• Sterimol/B2: 2.90725
• Sterimol/B3: 3.48791
• Sterimol/B4: 4.14015
• Sterimol/L: 14.54

Surface and Volume Properties

• Accessible surface: 411.261
• Positive charged surface: 287.831
• Negative charged surface: 123.43
• Volume: 171.625
• Hydrophobic surface: 269.454
• Hydrophilic surface: 141.807

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