FDA-ZINC03831574

MMsINC code: MMs01727462

• Type: Ionized
• Formula: C₂H₂Cl₃O₄P-2
• SMILES: ClC(Cl)(Cl)COP(=O)([O-])[O-]
• InChI: InChI=1/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)/p-2

Potential Energy
Epot(MMFF94)=-2.06801 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 227.367 g/mol
• logS: -1.72638
• SlogP: -0.4484
• Reactive groups: 0

Topological Properties

• Globularity: 0.200663
• Sterimol/B1: 2.77132
• Sterimol/B2: 3.44804
• Sterimol/B3: 3.55537
• Sterimol/B4: 3.71201
• Sterimol/L: 9.84458

Surface and Volume Properties

• Accessible surface: 333.247
• Positive charged surface: 35.1842
• Negative charged surface: 298.063
• Volume: 136.5
• Hydrophobic surface: 23.881
• Hydrophilic surface: 309.366

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 3
• 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