ALFAAESAR-ZINC03830896

MMsINC code: MMs00024289

• Type: Neutral
• Formula: C₃H₉O₆P
• SMILES: P(OCC(O)CO)(O)(O)=O
• InChI: InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1

Potential Energy
Epot(MMFF94)=-48.4055 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 172.073 g/mol
• logS: 1.2295
• SlogP: -2.6213
• Reactive groups: 0

Topological Properties

• Globularity: 0.0947031
• Sterimol/B1: 2.64682
• Sterimol/B2: 3.21535
• Sterimol/B3: 3.23128
• Sterimol/B4: 3.57735
• Sterimol/L: 11.7416

Surface and Volume Properties

• Accessible surface: 338.481
• Positive charged surface: 209.05
• Negative charged surface: 129.431
• Volume: 129.25
• Hydrophobic surface: 87.7389
• Hydrophilic surface: 250.7421

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 6
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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