CHEMBLOCK-ZINC06668304

MMsINC code: MMs00582536

• Type: Neutral
• Formula: C₁₉H₂₄N₂O₅
• SMILES: O(C(=O)N1CCCc2cc(NC(=O)C3CCCCC3C(O)=O)ccc12)C
• InChI: InChI=1/C19H24N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h8-9,11,14-15H,2-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15-/m1/s1

Potential Energy
Epot(MMFF94)=65.0422 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 360.41 g/mol
• logS: -3.23715
• SlogP: 3.03507
• Reactive groups: 0

Topological Properties

• Globularity: 0.0679501
• Sterimol/B1: 2.32243
• Sterimol/B2: 3.02973
• Sterimol/B3: 5.48734
• Sterimol/B4: 7.76704
• Sterimol/L: 17.908

Surface and Volume Properties

• Accessible surface: 608.758
• Positive charged surface: 458.021
• Negative charged surface: 150.737
• Volume: 336.875
• Hydrophobic surface: 479.776
• Hydrophilic surface: 128.982

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1