PUBCHEM-ZINC05134887

MMsINC code: MMs03209870

• Type: Ionized
• Formula: C₃H₅O₅P-2
• SMILES: P(OCC1OC1)(=O)([O-])[O-]
• InChI: InChI=1/C3H7O5P/c4-9(5,6)8-2-3-1-7-3/h3H,1-2H2,(H2,4,5,6)/p-2/t3-/m1/s1

Potential Energy
Epot(MMFF94)=-3.77674 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 152.042 g/mol
• logS: 0.3899
• SlogP: -2.8397
• Reactive groups: 1

Topological Properties

• Globularity: 0.101096
• Sterimol/B1: 3.10869
• Sterimol/B2: 3.12541
• Sterimol/B3: 3.14863
• Sterimol/B4: 3.2132
• Sterimol/L: 10.1776

Surface and Volume Properties

• Accessible surface: 294.511
• Positive charged surface: 103.948
• Negative charged surface: 190.563
• Volume: 108.75
• Hydrophobic surface: 126.006
• Hydrophilic surface: 168.505

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 3
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1