NCID-ZINC01734380

MMsINC code: MMs02356741

• Type: Ionized
• Formula: C₁₀H₁₅O₃-
• SMILES: O=C1CCC(CC1)CCCC(=O)[O-]
• InChI: InChI=1/C10H16O3/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h8H,1-7H2,(H,12,13)/p-1

Potential Energy
Epot(MMFF94)=10.303 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 183.227 g/mol
• logS: -1.48309
• SlogP: 0.6659
• Reactive groups: 0

Topological Properties

• Globularity: 0.0877244
• Sterimol/B1: 2.46181
• Sterimol/B2: 2.77404
• Sterimol/B3: 3.42632
• Sterimol/B4: 5.264
• Sterimol/L: 12.9053

Surface and Volume Properties

• Accessible surface: 393.446
• Positive charged surface: 248.026
• Negative charged surface: 145.42
• Volume: 183.875
• Hydrophobic surface: 251.733
• Hydrophilic surface: 141.713

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