PUBCHEM-ZINC06525238

MMsINC code: MMs03783223

• Type: Neutral
• Formula: C₈H₁₀FNO
• SMILES: Fc1ccc(O)cc1CCN
• InChI: InChI=1/C8H10FNO/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5,11H,3-4,10H2

Potential Energy
Epot(MMFF94)=21.6615 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: 0.0815314
• Sterimol/B1: 2.53938
• Sterimol/B2: 3.02944
• Sterimol/B3: 3.54349
• Sterimol/B4: 4.10686
• Sterimol/L: 10.8819

Surface and Volume Properties

• Accessible surface: 343.831
• Positive charged surface: 224.195
• Negative charged surface: 119.636
• Volume: 146.375
• Hydrophobic surface: 224.084
• Hydrophilic surface: 119.747

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