CHEMSTAR-ZINC04015763

MMsINC code: MMs01087078

• Type: Neutral
• Formula: C₁₅H₂₀N₂O₄
• SMILES: OC(=O)c1ccccc1NC(=O)CCCCCNC(=O)C
• InChI: InChI=1/C15H20N2O4/c1-11(18)16-10-6-2-3-9-14(19)17-13-8-5-4-7-12(13)15(20)21/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,18)(H,17,19)(H,20,21)

Potential Energy
Epot(MMFF94)=41.6321 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 292.335 g/mol
• logS: -2.22353
• SlogP: 2.0198
• Reactive groups: 0

Topological Properties

• Globularity: 0.0136197
• Sterimol/B1: 2.54307
• Sterimol/B2: 3.24732
• Sterimol/B3: 4.34105
• Sterimol/B4: 5.31484
• Sterimol/L: 19.4305

Surface and Volume Properties

• Accessible surface: 572.148
• Positive charged surface: 383.897
• Negative charged surface: 188.25
• Volume: 283.25
• Hydrophobic surface: 398.987
• Hydrophilic surface: 173.161

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