ACROSORGANICS-ZINC00409276

MMsINC code: MMs00007951

• Type: Neutral
• Formula: C₇H₄F₂O₂
• SMILES: Fc1cc(cc(F)c1)C(O)=O
• InChI: InChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

Potential Energy
Epot(MMFF94)=10.1141 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 158.103 g/mol
• logS: -1.94424
• SlogP: 1.663
• Reactive groups: 0

Topological Properties

• Globularity: 2.52462e-07
• Sterimol/B1: 2.097
• Sterimol/B2: 2.0986
• Sterimol/B3: 2.48562
• Sterimol/B4: 5.31722
• Sterimol/L: 9.8484

Surface and Volume Properties

• Accessible surface: 300.578
• Positive charged surface: 129.938
• Negative charged surface: 170.64
• Volume: 124.375
• Hydrophobic surface: 203.675
• Hydrophilic surface: 96.903

Pharmacophoric Properties

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