PUBCHEM-ZINC05998380

MMsINC code: MMs03482421

• Type: Neutral
• Formula: C₃H₉O₅P
• SMILES: P(OCCO)(OC)(O)=O
• InChI: InChI=1/C3H9O5P/c1-7-9(5,6)8-3-2-4/h4H,2-3H2,1H3,(H,5,6)

Potential Energy
Epot(MMFF94)=-30.1388 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.074 g/mol
• logS: 0.68178
• SlogP: -1.3281
• Reactive groups: 0

Topological Properties

• Globularity: 0.0815267
• Sterimol/B1: 2.5668
• Sterimol/B2: 2.6902
• Sterimol/B3: 3.71721
• Sterimol/B4: 4.26159
• Sterimol/L: 10.7201

Surface and Volume Properties

• Accessible surface: 332.352
• Positive charged surface: 245.913
• Negative charged surface: 86.4383
• Volume: 124.875
• Hydrophobic surface: 181.222
• Hydrophilic surface: 151.13

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• Acid groups: 0
• 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