PUBCHEM-ZINC05113691

MMsINC code: MMs03201865

• Type: Ionized
• Formula: C₂H₅O₅P-2
• SMILES: P(OCCO)(=O)([O-])[O-]
• InChI: InChI=1/C2H7O5P/c3-1-2-7-8(4,5)6/h3H,1-2H2,(H2,4,5,6)/p-2

Potential Energy
Epot(MMFF94)=-7.97816 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.031 g/mol
• logS: 0.88392
• SlogP: -3.2462
• Reactive groups: 0

Topological Properties

• Globularity: 0.228318
• Sterimol/B1: 2.97864
• Sterimol/B2: 3.0769
• Sterimol/B3: 3.09081
• Sterimol/B4: 3.12294
• Sterimol/L: 8.4254

Surface and Volume Properties

• Accessible surface: 267.766
• Positive charged surface: 122.768
• Negative charged surface: 144.998
• Volume: 97
• Hydrophobic surface: 93.9876
• Hydrophilic surface: 173.7784

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• Acid groups: 3
• 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