PUBCHEM-ZINC05962833

MMsINC code: MMs03463120

• Type: Neutral
• Formula: C₁₀H₂₀NO₆P
• SMILES: P(O)(=O)(C(N)CC(O)=O)CC(CC(C)C)C(O)=O
• InChI: InChI=1/C10H20NO6P/c1-6(2)3-7(10(14)15)5-18(16,17)8(11)4-9(12)13/h6-8H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,8-/m1/s1

Potential Energy
Epot(MMFF94)=32.1538 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 281.245 g/mol
• logS: -0.08668
• SlogP: -0.307
• Reactive groups: 0

Topological Properties

• Globularity: 0.10862
• Sterimol/B1: 2.29351
• Sterimol/B2: 3.01266
• Sterimol/B3: 4.97701
• Sterimol/B4: 6.21822
• Sterimol/L: 14.8921

Surface and Volume Properties

• Accessible surface: 492.404
• Positive charged surface: 305.704
• Negative charged surface: 186.7
• Volume: 249.5
• Hydrophobic surface: 182.913
• Hydrophilic surface: 309.491

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: 0
• Oprea's lead like rule: 1