ACROSORGANICS-ZINC00157155

MMsINC code: MMs00005580

• Type: Neutral
• Formula: C₇H₅FO
• SMILES: Fc1cc(ccc1)C=O
• InChI: InChI=1/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Potential Energy
Epot(MMFF94)=20.1736 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 124.114 g/mol
• logS: -1.68597
• SlogP: 1.6382
• Reactive groups: 1

Topological Properties

• Globularity: 2.87738e-07
• Sterimol/B1: 2.097
• Sterimol/B2: 2.09894
• Sterimol/B3: 2.42694
• Sterimol/B4: 5.05366
• Sterimol/L: 9.14247

Surface and Volume Properties

• Accessible surface: 281.028
• Positive charged surface: 139.88
• Negative charged surface: 141.148
• Volume: 114.5
• Hydrophobic surface: 220.241
• Hydrophilic surface: 60.787

Pharmacophoric Properties

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