ACROSORGANICS-ZINC01577120

MMsINC code: MMs00009401

• Type: Neutral
• Formula: C₁₁H₂₀O₂
• SMILES: OC(=O)CCCCCCCCC=C
• InChI: InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

Potential Energy
Epot(MMFF94)=0.631315 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 184.279 g/mol
• logS: -3.56467
• SlogP: 3.3778
• Reactive groups: 0

Topological Properties

• Globularity: 0.0298231
• Sterimol/B1: 2.1492
• Sterimol/B2: 2.78307
• Sterimol/B3: 3.21827
• Sterimol/B4: 3.3869
• Sterimol/L: 17.8245

Surface and Volume Properties

• Accessible surface: 469.615
• Positive charged surface: 336.294
• Negative charged surface: 133.321
• Volume: 210
• Hydrophobic surface: 317.159
• Hydrophilic surface: 152.456

Pharmacophoric Properties

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