PUBCHEM-ZINC05131749

MMsINC code: MMs03206625

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: [PH](O)(=O)CC(O)C(O)=O
• InChI: InChI=1/C3H7O5P/c4-2(3(5)6)1-9(7)8/h2,4,9H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1

Potential Energy
Epot(MMFF94)=-5.58809 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.58373
• SlogP: -2.1713
• Reactive groups: 0

Topological Properties

• Globularity: 0.122426
• Sterimol/B1: 2.52472
• Sterimol/B2: 2.66404
• Sterimol/B3: 3.38352
• Sterimol/B4: 3.94532
• Sterimol/L: 10.0344

Surface and Volume Properties

• Accessible surface: 304.244
• Positive charged surface: 154.473
• Negative charged surface: 149.771
• Volume: 114.125
• Hydrophobic surface: 75.9351
• Hydrophilic surface: 228.3089

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

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