ACROSORGANICS-ZINC03870166

MMsINC code: MMs00016149

• Type: Ionized
• Formula: C₂H₇NO₄P-
• SMILES: P(OCC[NH3+])(=O)([O-])[O-]
• InChI: InChI=1/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1

Potential Energy
Epot(MMFF94)=-79.1555 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.055 g/mol
• logS: 1.01441
• SlogP: -3.9966
• Reactive groups: 0

Topological Properties

• Globularity: 0.209827
• Sterimol/B1: 2.74083
• Sterimol/B2: 2.82153
• Sterimol/B3: 3.38003
• Sterimol/B4: 3.38279
• Sterimol/L: 8.15687

Surface and Volume Properties

• Accessible surface: 272.068
• Positive charged surface: 157.72
• Negative charged surface: 114.347
• Volume: 101
• Hydrophobic surface: 87.6846
• Hydrophilic surface: 184.3834

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 3
• Basic groups: 1
• 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