PUBCHEM-ZINC03779043

MMsINC code: MMs03075809

• Type: Neutral
• Formula: C₁₅H₃₀N₄O₅
• SMILES: OC(=O)C(NC(=O)C(NC(=O)C(N)CO)CCCCN)CC(C)C
• InChI: InChI=1/C15H30N4O5/c1-9(2)7-12(15(23)24)19-14(22)11(5-3-4-6-16)18-13(21)10(17)8-20/h9-12,20H,3-8,16-17H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)/t10-,11-,12-/m0/s1

Potential Energy
Epot(MMFF94)=74.8176 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 346.428 g/mol
• logS: -1.27643
• SlogP: -1.4647
• Reactive groups: 0

Topological Properties

• Globularity: 0.133546
• Sterimol/B1: 2.42937
• Sterimol/B2: 6.04282
• Sterimol/B3: 7.42132
• Sterimol/B4: 7.66153
• Sterimol/L: 14.6488

Surface and Volume Properties

• Accessible surface: 647.657
• Positive charged surface: 486.5
• Negative charged surface: 161.157
• Volume: 338.375
• Hydrophobic surface: 301.142
• Hydrophilic surface: 346.515

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 7
• 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: 1
• Oprea's lead like rule: 0