NCID-ZINC05886534

MMsINC code: MMs02509946

• Type: Neutral
• Formula: C₁₀H₁₄FN₃O₆
• SMILES: FC1=CN(C2OC(CO)C(O)C(O)C2N)C(=O)NC1=O
• InChI: InChI=1/C10H14FN3O6/c11-3-1-14(10(19)13-8(3)18)9-5(12)7(17)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2,12H2,(H,13,18,19)/t4-,5-,6+,7-,9-/m0/s1

Potential Energy
Epot(MMFF94)=61.2867 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 291.235 g/mol
• logS: 0.04775
• SlogP: -2.7757
• Reactive groups: 0

Topological Properties

• Globularity: 0.180673
• Sterimol/B1: 3.07392
• Sterimol/B2: 4.61019
• Sterimol/B3: 5.09736
• Sterimol/B4: 5.25426
• Sterimol/L: 12.4651

Surface and Volume Properties

• Accessible surface: 454.145
• Positive charged surface: 288.093
• Negative charged surface: 166.052
• Volume: 227.25
• Hydrophobic surface: 162.272
• Hydrophilic surface: 291.873

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 7
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 5

Drug- and Lead-like Properties

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