PUBCHEM-ZINC05955504

MMsINC code: MMs03459132

• Type: Neutral
• Formula: C₃H₉O₂P
• SMILES: P(O)(=O)(CC)C
• InChI: InChI=1/C3H9O2P/c1-3-6(2,4)5/h3H2,1-2H3,(H,4,5)

Potential Energy
Epot(MMFF94)=-9.29867 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 108.077 g/mol
• logS: 0.66115
• SlogP: -0.1637
• Reactive groups: 0

Topological Properties

• Globularity: 0.168823
• Sterimol/B1: 2.87224
• Sterimol/B2: 3.1602
• Sterimol/B3: 3.42651
• Sterimol/B4: 3.54982
• Sterimol/L: 8.9291

Surface and Volume Properties

• Accessible surface: 275.799
• Positive charged surface: 176.262
• Negative charged surface: 99.5373
• Volume: 101
• Hydrophobic surface: 153.205
• Hydrophilic surface: 122.594

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• 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