ENAMINE-ZINC03164137

MMsINC code: MMs01291964

• Type: Tautomer
• Formula: C₄H₉O₃P
• SMILES: P(=O)(CC(O)=O)(C)C
• InChI: InChI=1/C4H9O3P/c1-8(2,7)3-4(5)6/h3H2,1-2H3,(H,5,6)

Potential Energy
Epot(MMFF94)=-1.38207 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 136.087 g/mol
• logS: 0.9019
• SlogP: -0.3765
• Reactive groups: 0

Topological Properties

• Globularity: 0.18228
• Sterimol/B1: 2.07103
• Sterimol/B2: 2.90794
• Sterimol/B3: 3.74632
• Sterimol/B4: 5.27742
• Sterimol/L: 9.48152

Surface and Volume Properties

• Accessible surface: 305.66
• Positive charged surface: 180.569
• Negative charged surface: 125.091
• Volume: 120.625
• Hydrophobic surface: 142.599
• Hydrophilic surface: 163.061

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• Acid groups: 0
• 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