ACROSORGANICS-ZINC03830897

MMsINC code: MMs00015173

• Type: Ionized
• Formula: C₃H₇O₆P-2
• SMILES: P(OC(CO)CO)(=O)([O-])[O-]
• InChI: InChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2

Potential Energy
Epot(MMFF94)=-3.31278 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 170.057 g/mol
• logS: 1.08646
• SlogP: -3.8853
• Reactive groups: 0

Topological Properties

• Globularity: 0.291759
• Sterimol/B1: 2.4497
• Sterimol/B2: 2.83143
• Sterimol/B3: 3.30091
• Sterimol/B4: 4.64033
• Sterimol/L: 8.80501

Surface and Volume Properties

• Accessible surface: 296.921
• Positive charged surface: 141.376
• Negative charged surface: 155.545
• Volume: 120.25
• Hydrophobic surface: 106.673
• Hydrophilic surface: 190.248

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• Acid groups: 3
• 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