DSC-ZINC02510620

MMsINC code: MMs01221701

• Type: Ionized
• Formula: C₄H₈O₅P-
• 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)/p-1

Potential Energy
Epot(MMFF94)=-24.514 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 167.077 g/mol
• logS: 0.13233
• SlogP: -1.848
• Reactive groups: 0

Topological Properties

• Globularity: 0.144893
• Sterimol/B1: 2.47434
• Sterimol/B2: 2.95685
• Sterimol/B3: 3.60937
• Sterimol/B4: 5.93186
• Sterimol/L: 9.88295

Surface and Volume Properties

• Accessible surface: 321.612
• Positive charged surface: 214.231
• Negative charged surface: 107.38
• Volume: 130.125
• Hydrophobic surface: 195.67
• Hydrophilic surface: 125.942

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 3
• 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