ACROSORGANICS-ZINC01530488

MMsINC code: MMs00008922

• Type: Neutral
• Formula: C₄H₁₁O₄P
• SMILES: P(OCC)(OCC)(O)=O
• InChI: InChI=1/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)

Potential Energy
Epot(MMFF94)=-42.284 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.102 g/mol
• logS: -0.17518
• SlogP: 0.0896
• Reactive groups: 0

Topological Properties

• Globularity: 0.0784052
• Sterimol/B1: 2.40828
• Sterimol/B2: 2.68719
• Sterimol/B3: 3.71816
• Sterimol/B4: 4.59191
• Sterimol/L: 12.2873

Surface and Volume Properties

• Accessible surface: 352.066
• Positive charged surface: 238.279
• Negative charged surface: 113.786
• Volume: 134
• Hydrophobic surface: 206.371
• Hydrophilic surface: 145.695

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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