PUBCHEM-ZINC05819728

MMsINC code: MMs03398836

• Type: Neutral
• Formula: C₄H₁₃NO₆P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(N)CCC
• InChI: InChI=1/C4H13NO6P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h2-3,5H2,1H3,(H2,6,7,8)(H2,9,10,11)

Potential Energy
Epot(MMFF94)=-18.7926 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 233.097 g/mol
• logS: 0.90102
• SlogP: -2.386
• Reactive groups: 0

Topological Properties

• Globularity: 0.425159
• Sterimol/B1: 3.19135
• Sterimol/B2: 3.60859
• Sterimol/B3: 3.9933
• Sterimol/B4: 5.5121
• Sterimol/L: 9.86107

Surface and Volume Properties

• Accessible surface: 371.342
• Positive charged surface: 220.079
• Negative charged surface: 151.263
• Volume: 175
• Hydrophobic surface: 88.6431
• Hydrophilic surface: 282.6989

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