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MMsINC code: MMs01507961

Type: Neutral
Formula: C₂₁H₂₂F₂N₂O₅

SMILES:

FC(F)Oc1ccc(cc1)C(OCC(=O)N(CC(=O)Nc1ccccc1CC)C)=O

InChI:

InChI=1/C21H22F2N2O5/c1-3-14-6-4-5-7-17(14)24-18(26)12-25(2)19(27)13-29-20(28)15-8-10-16(11-9-15)30-21(22)23/h4-11,21H,3,12-13H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.423 kcal/mol

Physical Properties
Molecular Weight: 420.412 g/mol	logS: -4.63956	SlogP: 3.52417	Reactive groups: 0

Topological Properties
Globularity: 0.0734764	Sterimol/B1: 2.5115	Sterimol/B2: 4.05892	Sterimol/B3: 7.11266
Sterimol/B4: 7.29801	Sterimol/L: 19.3154

Surface and Volume Properties
Accessible surface: 706.172	Positive charged surface: 423.487	Negative charged surface: 282.685	Volume: 376.625
Hydrophobic surface: 497.376	Hydrophilic surface: 208.796

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.