CHEMSTAR-ZINC03165041

MMsINC code: MMs01085236

• Type: Neutral
• Formula: C₄H₁₀O₄P₂
• SMILES: P1(O)(=O)CCCP(O)(=O)C1
• InChI: InChI=1/C4H10O4P2/c5-9(6)2-1-3-10(7,8)4-9/h1-4H2,(H,5,6)(H,7,8)

Potential Energy
Epot(MMFF94)=-22.4112 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 184.068 g/mol
• logS: 1.51115
• SlogP: -1.252
• Reactive groups: 0

Topological Properties

• Globularity: 0.220308
• Sterimol/B1: 2.56378
• Sterimol/B2: 3.19401
• Sterimol/B3: 3.23564
• Sterimol/B4: 5.731
• Sterimol/L: 9.83905

Surface and Volume Properties

• Accessible surface: 325.836
• Positive charged surface: 191.911
• Negative charged surface: 133.924
• Volume: 141.75
• Hydrophobic surface: 164.857
• Hydrophilic surface: 160.979

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

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