PUBCHEM-ZINC05131911

MMsINC code: MMs03206833

• 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-/m1/s1

Potential Energy
Epot(MMFF94)=-9.37347 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: 0.124972
• Sterimol/B1: 2.52257
• Sterimol/B2: 2.6769
• Sterimol/B3: 3.82916
• Sterimol/B4: 3.93929
• Sterimol/L: 10.0304

Surface and Volume Properties

• Accessible surface: 305.157
• Positive charged surface: 152.872
• Negative charged surface: 152.284
• Volume: 115.375
• Hydrophobic surface: 71.8316
• Hydrophilic surface: 233.3254

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