PUBCHEM-ZINC06521406

MMsINC code: MMs03779794

• Type: Neutral
• Formula: C₁₁H₁₂F₂N₂O₄
• SMILES: FC1(F)C2C1C(OC2CO)N1C=C(C)C(=O)NC1=O
• InChI: InChI=1/C11H12F2N2O4/c1-4-2-15(10(18)14-8(4)17)9-7-6(11(7,12)13)5(3-16)19-9/h2,5-7,9,16H,3H2,1H3,(H,14,17,18)/t5-,6+,7+,9-/m1/s1

Potential Energy
Epot(MMFF94)=9.99633 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 274.223 g/mol
• logS: -1.29852
• SlogP: 0.4604
• Reactive groups: 0

Topological Properties

• Globularity: 0.138987
• Sterimol/B1: 2.22715
• Sterimol/B2: 3.57709
• Sterimol/B3: 4.06915
• Sterimol/B4: 6.73825
• Sterimol/L: 12.3702

Surface and Volume Properties

• Accessible surface: 440.041
• Positive charged surface: 263.748
• Negative charged surface: 176.293
• Volume: 219.25
• Hydrophobic surface: 208.335
• Hydrophilic surface: 231.706

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 4

Drug- and Lead-like Properties

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