ACROSORGANICS-ZINC04262401

MMsINC code: MMs00017486

• Type: Neutral
• Formula: C₃HF₅O₂
• SMILES: FC(F)(C(O)=O)C(F)(F)F
• InChI: InChI=1/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)

Potential Energy
Epot(MMFF94)=29.782 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 164.029 g/mol
• logS: -1.37271
• SlogP: 2.1084
• Reactive groups: 1

Topological Properties

• Globularity: 0.19324
• Sterimol/B1: 2.77951
• Sterimol/B2: 2.92881
• Sterimol/B3: 2.9897
• Sterimol/B4: 3.31182
• Sterimol/L: 8.3952

Surface and Volume Properties

• Accessible surface: 255.305
• Positive charged surface: 49.0732
• Negative charged surface: 206.232
• Volume: 89.25
• Hydrophobic surface: 0
• Hydrophilic surface: 255.305

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