BACHEM-ZINC02504771

MMsINC code: MMs00483185

• Type: Neutral
• Formula: C₁₅H₂₈N₄O₅
• SMILES: OC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)CCC(=O)N
• InChI: InChI=1/C15H28N4O5/c1-7(2)11(17)13(21)19-12(8(3)4)14(22)18-9(15(23)24)5-6-10(16)20/h7-9,11-12H,5-6,17H2,1-4H3,(H2,16,20)(H,18,22)(H,19,21)(H,23,24)/t9-,11-,12-/m0/s1

Potential Energy
Epot(MMFF94)=70.0067 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 344.412 g/mol
• logS: -1.44663
• SlogP: -1.0546
• Reactive groups: 0

Topological Properties

• Globularity: 0.134546
• Sterimol/B1: 2.79125
• Sterimol/B2: 3.40408
• Sterimol/B3: 5.54053
• Sterimol/B4: 7.68954
• Sterimol/L: 15.3828

Surface and Volume Properties

• Accessible surface: 605.386
• Positive charged surface: 422.034
• Negative charged surface: 183.352
• Volume: 329.875
• Hydrophobic surface: 261.072
• Hydrophilic surface: 344.314

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 6
• 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