ASINEX-ZINC02893334

MMsINC code: MMs00280364

• Type: Neutral
• Formula: C₁₀H₇FO₄
• SMILES: Fc1ccc(cc1)C(=O)\C=C(/O)\C(O)=O
• InChI: InChI=1/C10H7FO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-

Potential Energy
Epot(MMFF94)=48.039 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 210.16 g/mol
• logS: -2.16051
• SlogP: 1.5349
• Reactive groups: 1

Topological Properties

• Globularity: 9.36328e-08
• Sterimol/B1: 2.097
• Sterimol/B2: 2.09848
• Sterimol/B3: 2.54486
• Sterimol/B4: 5.27052
• Sterimol/L: 13.5705

Surface and Volume Properties

• Accessible surface: 384.101
• Positive charged surface: 187.269
• Negative charged surface: 196.831
• Volume: 176.125
• Hydrophobic surface: 219.024
• Hydrophilic surface: 165.077

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• 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