ENAMINE-ZINC03164137

MMsINC code: MMs01291963

• Type: Neutral
• Formula: C₄H₈O₃P-
• SMILES: P(=O)(CC(=O)[O-])(C)C
• InChI: InChI=1/C4H9O3P/c1-8(2,7)3-4(5)6/h3H2,1-2H3,(H,5,6)/p-1

Potential Energy
Epot(MMFF94)=-5.06342 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 135.079 g/mol
• logS: 0.64145
• SlogP: -1.7112
• Reactive groups: 0

Topological Properties

• Globularity: 0.225685
• Sterimol/B1: 2.54565
• Sterimol/B2: 2.71837
• Sterimol/B3: 3.97764
• Sterimol/B4: 4.67796
• Sterimol/L: 9.21696

Surface and Volume Properties

• Accessible surface: 291.693
• Positive charged surface: 152.112
• Negative charged surface: 139.582
• Volume: 118.125
• Hydrophobic surface: 132.244
• Hydrophilic surface: 159.449

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 2
• 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