ACROSORGANICS-ZINC01530348

MMsINC code: MMs00008910

• Type: Neutral
• Formula: C₆H₁₀O₄
• SMILES: OC(=O)CCCCC(O)=O
• InChI: InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Potential Energy
Epot(MMFF94)=-7.30738 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 146.142 g/mol
• logS: 0.2504
• SlogP: 0.716
• Reactive groups: 0

Topological Properties

• Globularity: 0.0421569
• Sterimol/B1: 2.37496
• Sterimol/B2: 2.37594
• Sterimol/B3: 2.76421
• Sterimol/B4: 3.55781
• Sterimol/L: 12.8196

Surface and Volume Properties

• Accessible surface: 333.382
• Positive charged surface: 217.157
• Negative charged surface: 116.225
• Volume: 134.375
• Hydrophobic surface: 135.976
• Hydrophilic surface: 197.406

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