ASINEX-ZINC00901837

MMsINC code: MMs00212711

• Type: Neutral
• Formula: C₇H₁₀O₃
• SMILES: O=C1CCC(CC1)C(O)=O
• InChI: InChI=1/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

Potential Energy
Epot(MMFF94)=5.32742 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 142.154 g/mol
• logS: 0.00957
• SlogP: 0.8303
• Reactive groups: 0

Topological Properties

• Globularity: 0.157057
• Sterimol/B1: 2.4155
• Sterimol/B2: 2.6851
• Sterimol/B3: 3.08396
• Sterimol/B4: 5.09492
• Sterimol/L: 10.1442

Surface and Volume Properties

• Accessible surface: 312.103
• Positive charged surface: 201.934
• Negative charged surface: 110.169
• Volume: 133.375
• Hydrophobic surface: 175.638
• Hydrophilic surface: 136.465

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• 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