ANALYTICONDISCOVERY-ZINC05414754

MMsINC code: MMs00037025

• Type: Neutral
• Formula: C₂₄H₃₂FN₅O₄
• SMILES: Fc1cc(ccc1)C(=O)N1CC(N(CC1)C(=O)NC1CCCCC1)C(=O)NC1CCCNC1=O
• InChI: InChI=1/C24H32FN5O4/c25-17-7-4-6-16(14-17)23(33)29-12-13-30(24(34)27-18-8-2-1-3-9-18)20(15-29)22(32)28-19-10-5-11-26-21(19)31/h4,6-7,14,18-20H,1-3,5,8-13,15H2,(H,26,31)(H,27,34)(H,28,32)/t19-,20+/m0/s1

Potential Energy
Epot(MMFF94)=132.474 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 473.549 g/mol
• logS: -4.1453
• SlogP: 1.3892
• Reactive groups: 0

Topological Properties

• Globularity: 0.0902673
• Sterimol/B1: 2.36888
• Sterimol/B2: 5.77629
• Sterimol/B3: 6.05574
• Sterimol/B4: 8.31833
• Sterimol/L: 16.8924

Surface and Volume Properties

• Accessible surface: 742.073
• Positive charged surface: 517.021
• Negative charged surface: 225.052
• Volume: 438
• Hydrophobic surface: 610.129
• Hydrophilic surface: 131.944

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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: 0