ACROSORGANICS-ZINC00164425

MMsINC code: MMs00006143

• Type: Ionized
• Formula: C₆H₃ClNO₂-
• SMILES: Clc1ncccc1C(=O)[O-]
• InChI: InChI=1/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=17.2774 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.548 g/mol
• logS: -1.40214
• SlogP: 0.0985
• Reactive groups: 0

Topological Properties

• Globularity: 0.0284613
• Sterimol/B1: 2.55566
• Sterimol/B2: 2.58995
• Sterimol/B3: 2.79843
• Sterimol/B4: 5.50515
• Sterimol/L: 9.22507

Surface and Volume Properties

• Accessible surface: 295.118
• Positive charged surface: 111.973
• Negative charged surface: 183.146
• Volume: 124.75
• Hydrophobic surface: 190.132
• Hydrophilic surface: 104.986

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