PUBCHEM-ZINC02510325

MMsINC code: MMs02890948

• Type: Ionized
• Formula: C₉H₁₃FN+
• SMILES: Fc1ccccc1C[NH2+]CC
• InChI: InChI=1/C9H12FN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3/p+1

Potential Energy
Epot(MMFF94)=10.0602 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.208 g/mol
• logS: -1.72318
• SlogP: 1.1754
• Reactive groups: 0

Topological Properties

• Globularity: 0.057576
• Sterimol/B1: 2.57009
• Sterimol/B2: 3.49466
• Sterimol/B3: 3.61911
• Sterimol/B4: 4.31933
• Sterimol/L: 12.4324

Surface and Volume Properties

• Accessible surface: 367.347
• Positive charged surface: 244.786
• Negative charged surface: 122.561
• Volume: 163.5
• Hydrophobic surface: 315.109
• Hydrophilic surface: 52.238

Pharmacophoric Properties

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