PUBCHEM-ZINC01532889

MMsINC code: MMs02813783

• Type: Ionized
• Formula: C₃H₉NO₄P-
• SMILES: P(OCC[NH2+]C)(=O)([O-])[O-]
• InChI: InChI=1/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)/p-1

Potential Energy
Epot(MMFF94)=-71.8028 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.082 g/mol
• logS: 0.93883
• SlogP: -4.0453
• Reactive groups: 0

Topological Properties

• Globularity: 0.160899
• Sterimol/B1: 2.5953
• Sterimol/B2: 3.04944
• Sterimol/B3: 3.22528
• Sterimol/B4: 4.40176
• Sterimol/L: 9.46102

Surface and Volume Properties

• Accessible surface: 302.652
• Positive charged surface: 191.965
• Negative charged surface: 110.687
• Volume: 120.5
• Hydrophobic surface: 140.839
• Hydrophilic surface: 161.813

Pharmacophoric Properties

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