NCID-ZINC01605745

MMsINC code: MMs02257921

• Type: Neutral
• Formula: C₁₄H₁₃FN₂O₅
• SMILES: Fc1cc2c([nH]cc2CC(NC(=O)C)(C(O)=O)C(O)=O)cc1
• InChI: InChI=1/C14H13FN2O5/c1-7(18)17-14(12(19)20,13(21)22)5-8-6-16-11-3-2-9(15)4-10(8)11/h2-4,6,16H,5H2,1H3,(H,17,18)(H,19,20)(H,21,22)

Potential Energy
Epot(MMFF94)=62.2333 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 308.265 g/mol
• logS: -2.1764
• SlogP: 0.89357
• Reactive groups: 0

Topological Properties

• Globularity: 0.0865222
• Sterimol/B1: 3.28242
• Sterimol/B2: 3.6538
• Sterimol/B3: 3.99988
• Sterimol/B4: 5.37574
• Sterimol/L: 13.966

Surface and Volume Properties

• Accessible surface: 477.759
• Positive charged surface: 269.128
• Negative charged surface: 205.578
• Volume: 255.75
• Hydrophobic surface: 287.465
• Hydrophilic surface: 190.294

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 5
• 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