DSC-ZINC02510620

MMsINC code: MMs01221700

• Type: Neutral
• Formula: C₄H₉O₅P
• SMILES: P(OC)(OC)(=O)CC(O)=O
• InChI: InChI=1/C4H9O5P/c1-8-10(7,9-2)3-4(5)6/h3H2,1-2H3,(H,5,6)

Potential Energy
Epot(MMFF94)=-7.33046 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 168.085 g/mol
• logS: 0.39278
• SlogP: -0.5133
• Reactive groups: 0

Topological Properties

• Globularity: 0.121145
• Sterimol/B1: 2.43512
• Sterimol/B2: 3.14491
• Sterimol/B3: 3.41647
• Sterimol/B4: 5.48475
• Sterimol/L: 10.0145

Surface and Volume Properties

• Accessible surface: 334.886
• Positive charged surface: 239.343
• Negative charged surface: 95.5433
• Volume: 136
• Hydrophobic surface: 200.622
• Hydrophilic surface: 134.264

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 5
• 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