PUBCHEM-ZINC06525238

MMsINC code: MMs03783224

• Type: Ionized
• Formula: C₈H₁₁FNO+
• SMILES: Fc1ccc(O)cc1CC[NH3+]
• InChI: InChI=1/C8H10FNO/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5,11H,3-4,10H2/p+1

Potential Energy
Epot(MMFF94)=18.827 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.18 g/mol
• logS: -1.01991
• SlogP: 0.31567
• Reactive groups: 0

Topological Properties

• Globularity: 0.059188
• Sterimol/B1: 2.7509
• Sterimol/B2: 3.16801
• Sterimol/B3: 3.57131
• Sterimol/B4: 4.15515
• Sterimol/L: 11.0154

Surface and Volume Properties

• Accessible surface: 346.292
• Positive charged surface: 240.907
• Negative charged surface: 105.386
• Volume: 150.25
• Hydrophobic surface: 217.926
• Hydrophilic surface: 128.366

Pharmacophoric Properties

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