PUBCHEM-ZINC01530410

MMsINC code: MMs02813323

• Type: Ionized
• Formula: C₃H₄O₅P-
• SMILES: [PH](O)(=O)CC(=O)C(=O)[O-]
• InChI: InChI=1/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8)/p-1

Potential Energy
Epot(MMFF94)=0.887761 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 151.034 g/mol
• logS: -0.21061
• SlogP: -3.2978
• Reactive groups: 0

Topological Properties

• Globularity: 0.0896278
• Sterimol/B1: 2.43006
• Sterimol/B2: 2.70277
• Sterimol/B3: 3.45044
• Sterimol/B4: 3.89467
• Sterimol/L: 10.1814

Surface and Volume Properties

• Accessible surface: 289.621
• Positive charged surface: 105.671
• Negative charged surface: 183.95
• Volume: 106.125
• Hydrophobic surface: 62.5538
• Hydrophilic surface: 227.0672

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• Acid groups: 2
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1