ASINEX-ZINC00864491

MMsINC code: MMs00199038

• Type: Neutral
• Formula: C₂₄H₁₉FN₂O₅
• SMILES: Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cc(OC)c(O)cc1
• InChI: InChI=1/C24H19FN2O5/c1-32-19-11-16(6-9-18(19)28)21-20(22(29)15-4-7-17(25)8-5-15)23(30)24(31)27(21)13-14-3-2-10-26-12-14/h2-12,20-21,28H,13H2,1H3/t20-,21+/m1/s1

Potential Energy
Epot(MMFF94)=104.139 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 434.423 g/mol
• logS: -4.25411
• SlogP: 3.4485
• Reactive groups: 0

Topological Properties

• Globularity: 0.286574
• Sterimol/B1: 2.23861
• Sterimol/B2: 3.4642
• Sterimol/B3: 7.26055
• Sterimol/B4: 9.72109
• Sterimol/L: 15.3179

Surface and Volume Properties

• Accessible surface: 676.158
• Positive charged surface: 400.222
• Negative charged surface: 275.935
• Volume: 387.5
• Hydrophobic surface: 508.636
• Hydrophilic surface: 167.522

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 6
• Acid groups: 0
• 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