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MMsINC code: MMs01607033

Type: Neutral
Formula: C₂₀H₂₂F₂N₄O₄

SMILES:

Fc1cccc(F)c1C(OCc1nc2N(CCCC)C(=O)NC(=O)c2n1CCC)=O

InChI:

InChI=1/C20H22F2N4O4/c1-3-5-10-26-17-16(18(27)24-20(26)29)25(9-4-2)14(23-17)11-30-19(28)15-12(21)7-6-8-13(15)22/h6-8H,3-5,9-11H2,1-2H3,(H,24,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.78639 kcal/mol

Physical Properties
Molecular Weight: 420.416 g/mol	logS: -4.93891	SlogP: 3.931	Reactive groups: 0

Topological Properties
Globularity: 0.102504	Sterimol/B1: 2.41581	Sterimol/B2: 2.64218	Sterimol/B3: 5.36728
Sterimol/B4: 10.0585	Sterimol/L: 15.2306

Surface and Volume Properties
Accessible surface: 676.737	Positive charged surface: 417.283	Negative charged surface: 259.453	Volume: 371.5
Hydrophobic surface: 471.909	Hydrophilic surface: 204.828

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.