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MMsINC code: MMs00285497

Type: Neutral
Formula: C₂₀H₂₂F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCCCCCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C20H22F2N2O2/c21-17-9-5-15(6-10-17)19(25)23-13-3-1-2-4-14-24-20(26)16-7-11-18(22)12-8-16/h5-12H,1-4,13-14H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4595 kcal/mol

Physical Properties
Molecular Weight: 360.404 g/mol	logS: -4.86852	SlogP: 3.685	Reactive groups: 0

Topological Properties
Globularity: 0.00526667	Sterimol/B1: 2.37456	Sterimol/B2: 2.37658	Sterimol/B3: 2.96421
Sterimol/B4: 5.33266	Sterimol/L: 23.9463

Surface and Volume Properties
Accessible surface: 661.969	Positive charged surface: 387	Negative charged surface: 274.969	Volume: 348.5
Hydrophobic surface: 580.081	Hydrophilic surface: 81.888

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.