CHEMSTAR-ZINC03099496

MMsINC code: MMs01083220

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P(O)(=O)(CC(O)=O)CO
• InChI: InChI=1/C3H7O5P/c4-2-9(7,8)1-3(5)6/h4H,1-2H2,(H,5,6)(H,7,8)

Potential Energy
Epot(MMFF94)=11.4405 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 1.48956
• SlogP: -1.779
• Reactive groups: 0

Topological Properties

• Globularity: 0.142511
• Sterimol/B1: 2.43974
• Sterimol/B2: 2.66494
• Sterimol/B3: 3.88061
• Sterimol/B4: 4.29493
• Sterimol/L: 10.4091

Surface and Volume Properties

• Accessible surface: 306.743
• Positive charged surface: 178.971
• Negative charged surface: 127.772
• Volume: 116.375
• Hydrophobic surface: 84.0053
• Hydrophilic surface: 222.7377

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• 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