SIAL-ZINC03075444

MMsINC code: MMs03914905

• Type: Ionized
• Formula: C₃H₇O₅P-2
• SMILES: P(OCCOC)(=O)([O-])[O-]
• InChI: InChI=1/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6)/p-2

Potential Energy
Epot(MMFF94)=3.64259 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.53874
• SlogP: -2.5921
• Reactive groups: 0

Topological Properties

• Globularity: 0.106205
• Sterimol/B1: 2.4862
• Sterimol/B2: 3.20832
• Sterimol/B3: 3.31968
• Sterimol/B4: 3.60084
• Sterimol/L: 10.469

Surface and Volume Properties

• Accessible surface: 311.467
• Positive charged surface: 177.283
• Negative charged surface: 134.183
• Volume: 116.5
• Hydrophobic surface: 166.125
• Hydrophilic surface: 145.342

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 3
• 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