MAYBRIDGE-ZINC04287726

MMsINC code: MMs02162950

• Type: Ionized
• Formula: C₈H₄FO₃-
• SMILES: Fc1ccc(cc1C=O)C(=O)[O-]
• InChI: InChI=1/C8H5FO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-4H,(H,11,12)/p-1

Potential Energy
Epot(MMFF94)=28.8715 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 167.115 g/mol
• logS: -1.91582
• SlogP: 0.0017
• Reactive groups: 1

Topological Properties

• Globularity: 1.66517e-08
• Sterimol/B1: 2.097
• Sterimol/B2: 2.09777
• Sterimol/B3: 3.22768
• Sterimol/B4: 5.20001
• Sterimol/L: 10.7196

Surface and Volume Properties

• Accessible surface: 316.034
• Positive charged surface: 134.904
• Negative charged surface: 181.13
• Volume: 137
• Hydrophobic surface: 165.23
• Hydrophilic surface: 150.804

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 2
• 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