PUBCHEM-ZINC05116893

MMsINC code: MMs03204542

• Type: Neutral
• Formula: C₆H₁₀N₃O₅P
• SMILES: P(O)(O)(=O)NC(Cc1[nH]cnc1)C(O)=O
• InChI: InChI=1/C6H10N3O5P/c10-6(11)5(9-15(12,13)14)1-4-2-7-3-8-4/h2-3,5H,1H2,(H,7,8)(H,10,11)(H3,9,12,13,14)/t5-/m0/s1

Potential Energy
Epot(MMFF94)=-57.7775 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 235.136 g/mol
• logS: 0.79934
• SlogP: -1.98253
• Reactive groups: 0

Topological Properties

• Globularity: 0.216616
• Sterimol/B1: 2.45569
• Sterimol/B2: 4.14694
• Sterimol/B3: 4.46981
• Sterimol/B4: 4.78043
• Sterimol/L: 10.5608

Surface and Volume Properties

• Accessible surface: 394.938
• Positive charged surface: 248.145
• Negative charged surface: 146.793
• Volume: 180.75
• Hydrophobic surface: 128.606
• Hydrophilic surface: 266.332

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 7
• Acid groups: 0
• 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