PUBCHEM-ZINC05112750

MMsINC code: MMs03201166

• Type: Ionized
• Formula: C₆H₄O₁₀P-5
• SMILES: P(OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-])(=O)([O-])[O-]
• InChI: InChI=1/C6H9O10P/c7-3(8)1-6(5(11)12,2-4(9)10)16-17(13,14)15/h1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/p-5

Potential Energy
Epot(MMFF94)=149.13 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 267.062 g/mol
• logS: 0.14867
• SlogP: -7.4698
• Reactive groups: 0

Topological Properties

• Globularity: 0.357117
• Sterimol/B1: 2.2842
• Sterimol/B2: 3.77105
• Sterimol/B3: 4.9917
• Sterimol/B4: 5.93802
• Sterimol/L: 10.5964

Surface and Volume Properties

• Accessible surface: 380.724
• Positive charged surface: 82.4169
• Negative charged surface: 298.307
• Volume: 174.875
• Hydrophobic surface: 35.2073
• Hydrophilic surface: 345.5167

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 9
• 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: 0