PUBCHEM-ZINC06794543

MMsINC code: MMs03862321

• Type: Neutral
• Formula: C₁₁H₁₉N₃O₅
• SMILES: OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)C
• InChI: InChI=1/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t5-,6+,7-/m0/s1

Potential Energy
Epot(MMFF94)=45.4313 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 273.289 g/mol
• logS: -1.09308
• SlogP: -1.395
• Reactive groups: 0

Topological Properties

• Globularity: 0.066615
• Sterimol/B1: 2.03732
• Sterimol/B2: 3.58608
• Sterimol/B3: 4.06564
• Sterimol/B4: 5.68092
• Sterimol/L: 17.059

Surface and Volume Properties

• Accessible surface: 527.51
• Positive charged surface: 330.833
• Negative charged surface: 196.677
• Volume: 254
• Hydrophobic surface: 257.51
• Hydrophilic surface: 270

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 3

Drug- and Lead-like Properties

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