ENAMINE-ZINC06552481

MMsINC code: MMs01672280

• Type: Neutral
• Formula: C₁₅H₂₄N₄O₄S
• SMILES: S(=O)(=O)(N)c1ccc(NC(=O)CN(CC(=O)NC(C)C)CC)cc1
• InChI: InChI=1/C15H24N4O4S/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-12-5-7-13(8-6-12)24(16,22)23/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)(H2,16,22,23)

Potential Energy
Epot(MMFF94)=67.7818 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 356.447 g/mol
• logS: -2.86567
• SlogP: 0.119
• Reactive groups: 0

Topological Properties

• Globularity: 0.0635361
• Sterimol/B1: 2.50212
• Sterimol/B2: 2.90421
• Sterimol/B3: 5.13184
• Sterimol/B4: 8.97349
• Sterimol/L: 18.4449

Surface and Volume Properties

• Accessible surface: 633.885
• Positive charged surface: 410.598
• Negative charged surface: 223.287
• Volume: 329.25
• Hydrophobic surface: 369.828
• Hydrophilic surface: 264.057

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• 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