CHEMSTAR-ZINC03165041

MMsINC code: MMs01085237

• Type: Ionized
• Formula: C₄H₈O₄P₂-2
• 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)/p-2

Potential Energy
Epot(MMFF94)=2.92061 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 182.052 g/mol
• logS: 1.36811
• SlogP: -2.516
• Reactive groups: 0

Topological Properties

• Globularity: 0.359379
• Sterimol/B1: 2.56273
• Sterimol/B2: 3.18179
• Sterimol/B3: 3.21838
• Sterimol/B4: 5.58319
• Sterimol/L: 8.89296

Surface and Volume Properties

• Accessible surface: 311.673
• Positive charged surface: 146.186
• Negative charged surface: 165.487
• Volume: 134.5
• Hydrophobic surface: 159.868
• Hydrophilic surface: 151.805

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 4
• 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