PUBCHEM-ZINC06525086

MMsINC code: MMs03783097

• Type: Neutral
• Formula: C₈H₁₀FNO
• SMILES: Fc1ccc(cc1O)CCN
• InChI: InChI=1/C8H10FNO/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5,11H,3-4,10H2

Potential Energy
Epot(MMFF94)=29.074 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.172 g/mol
• logS: -1.0443
• SlogP: 1.03247
• Reactive groups: 0

Topological Properties

• Globularity: 0.0748939
• Sterimol/B1: 2.58473
• Sterimol/B2: 2.58679
• Sterimol/B3: 2.93594
• Sterimol/B4: 5.15864
• Sterimol/L: 11.2146

Surface and Volume Properties

• Accessible surface: 343.967
• Positive charged surface: 223.214
• Negative charged surface: 120.753
• Volume: 148.125
• Hydrophobic surface: 226.247
• Hydrophilic surface: 117.72

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