PUBCHEM-ZINC05112756

MMsINC code: MMs03201174

• Type: Neutral
• Formula: C₄H₁₁NO₈P₂
• SMILES: [PH](OCN(CC(O)=O)CO[PH](O)=O)(O)=O
• InChI: InChI=1/C4H11NO8P2/c6-4(7)1-5(2-12-14(8)9)3-13-15(10)11/h14-15H,1-3H2,(H,6,7)(H,8,9)(H,10,11)

Potential Energy
Epot(MMFF94)=-34.1646 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 263.079 g/mol
• logS: 0.53075
• SlogP: -3.0552
• Reactive groups: 0

Topological Properties

• Globularity: 0.0912538
• Sterimol/B1: 2.52749
• Sterimol/B2: 3.7689
• Sterimol/B3: 3.77727
• Sterimol/B4: 5.91775
• Sterimol/L: 13.7623

Surface and Volume Properties

• Accessible surface: 442.862
• Positive charged surface: 216.769
• Negative charged surface: 226.092
• Volume: 187.625
• Hydrophobic surface: 130.919
• Hydrophilic surface: 311.943

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 9
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

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