DSC-ZINC04352585

MMsINC code: MMs01221802

• Type: Neutral
• Formula: C₃H₁₁NO₆P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(N)CC
• InChI: InChI=1/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)

Potential Energy
Epot(MMFF94)=-29.071 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 219.07 g/mol
• logS: 1.41624
• SlogP: -2.7761
• Reactive groups: 0

Topological Properties

• Globularity: 0.373463
• Sterimol/B1: 2.40702
• Sterimol/B2: 3.4314
• Sterimol/B3: 4.00652
• Sterimol/B4: 5.90825
• Sterimol/L: 8.93384

Surface and Volume Properties

• Accessible surface: 348.511
• Positive charged surface: 196.772
• Negative charged surface: 151.739
• Volume: 158.375
• Hydrophobic surface: 68.5427
• Hydrophilic surface: 279.9683

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 7
• 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