NCID-ZINC01673625

MMsINC code: MMs02309465

• Type: Neutral
• Formula: C₃H₉O₄P
• SMILES: P(OC(C)C)(O)(O)=O
• InChI: InChI=1/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)

Potential Energy
Epot(MMFF94)=-68.9269 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.075 g/mol
• logS: 0.17
• SlogP: -0.5661
• Reactive groups: 0

Topological Properties

• Globularity: 0.12907
• Sterimol/B1: 2.32766
• Sterimol/B2: 2.60507
• Sterimol/B3: 3.12824
• Sterimol/B4: 4.8921
• Sterimol/L: 9.2942

Surface and Volume Properties

• Accessible surface: 302.619
• Positive charged surface: 174.479
• Negative charged surface: 128.141
• Volume: 115.125
• Hydrophobic surface: 113.701
• Hydrophilic surface: 188.918

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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