ACROSORGANICS-ZINC01577199

MMsINC code: MMs00009435

• Type: Ionized
• Formula: C₇H₁₃O₂-
• SMILES: O=C([O-])CCCCCC
• InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1

Potential Energy
Epot(MMFF94)=1.15908 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 129.179 g/mol
• logS: -2.11684
• SlogP: 0.7067
• Reactive groups: 0

Topological Properties

• Globularity: 0.0565713
• Sterimol/B1: 2.37226
• Sterimol/B2: 2.37282
• Sterimol/B3: 2.96466
• Sterimol/B4: 3.14532
• Sterimol/L: 12.8466

Surface and Volume Properties

• Accessible surface: 350.493
• Positive charged surface: 239.767
• Negative charged surface: 110.726
• Volume: 139.625
• Hydrophobic surface: 230.431
• Hydrophilic surface: 120.062

Pharmacophoric Properties

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