NCID-ZINC01608046

MMsINC code: MMs02259611

• Type: Ionized
• Formula: C₃H₇NO₄P-
• SMILES: [PH](O)(=O)CC(N)C(=O)[O-]
• InChI: InChI=1/C3H8NO4P/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m1/s1

Potential Energy
Epot(MMFF94)=5.75969 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 152.066 g/mol
• logS: 0.42938
• SlogP: -3.5396
• Reactive groups: 0

Topological Properties

• Globularity: 0.168814
• Sterimol/B1: 2.59107
• Sterimol/B2: 3.101
• Sterimol/B3: 3.70569
• Sterimol/B4: 4.03602
• Sterimol/L: 9.75141

Surface and Volume Properties

• Accessible surface: 304.147
• Positive charged surface: 143.691
• Negative charged surface: 160.455
• Volume: 116.125
• Hydrophobic surface: 73.7188
• Hydrophilic surface: 230.4282

Pharmacophoric Properties

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

Drug- and Lead-like Properties

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