PUBCHEM-ZINC05955504

MMsINC code: MMs03459133

• Type: Ionized
• Formula: C₃H₈O₂P-
• SMILES: P(=O)([O-])(CC)C
• InChI: InChI=1/C3H9O2P/c1-3-6(2,4)5/h3H2,1-2H3,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=-2.13548 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 107.069 g/mol
• logS: 0.58963
• SlogP: -0.7957
• Reactive groups: 0

Topological Properties

• Globularity: 0.175282
• Sterimol/B1: 2.66539
• Sterimol/B2: 3.13389
• Sterimol/B3: 3.13403
• Sterimol/B4: 3.29352
• Sterimol/L: 8.77121

Surface and Volume Properties

• Accessible surface: 267.58
• Positive charged surface: 152.895
• Negative charged surface: 114.685
• Volume: 98.25
• Hydrophobic surface: 153.278
• Hydrophilic surface: 114.302

Pharmacophoric Properties

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

Drug- and Lead-like Properties

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