ACROSORGANICS-ZINC01555301

MMsINC code: MMs00009133

• Type: Ionized
• Formula: C₃H₃F₄O-
• SMILES: FC(F)(C[O-])C(F)F
• InChI: InChI=1/C3H3F4O/c4-2(5)3(6,7)1-8/h2H,1H2/q-1

Potential Energy
Epot(MMFF94)=36.6666 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 131.048 g/mol
• logS: -0.69097
• SlogP: 2.1571
• Reactive groups: 0

Topological Properties

• Globularity: 0.309546
• Sterimol/B1: 2.59732
• Sterimol/B2: 3.03566
• Sterimol/B3: 3.14153
• Sterimol/B4: 3.17837
• Sterimol/L: 7.46243

Surface and Volume Properties

• Accessible surface: 240.682
• Positive charged surface: 63.4098
• Negative charged surface: 177.272
• Volume: 82
• Hydrophobic surface: 54.8851
• Hydrophilic surface: 185.7969

Pharmacophoric Properties

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