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MMsINC code: MMs00563289

Type: Neutral
Formula: C₂₀H₁₄F₄N₂O₃

SMILES:

Fc1c(F)c2N(C=C(C(O)=O)C(=O)c2cc1F)c1cc(F)c(N2CCCC2)cc1

InChI:

InChI=1/C20H14F4N2O3/c21-13-7-10(3-4-15(13)25-5-1-2-6-25)26-9-12(20(28)29)19(27)11-8-14(22)16(23)17(24)18(11)26/h3-4,7-9H,1-2,5-6H2,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.919 kcal/mol

Physical Properties
Molecular Weight: 406.335 g/mol	logS: -5.52761	SlogP: 4.1461	Reactive groups: 1

Topological Properties
Globularity: 0.0577759	Sterimol/B1: 2.5356	Sterimol/B2: 5.28906	Sterimol/B3: 5.48316
Sterimol/B4: 6.19334	Sterimol/L: 15.499

Surface and Volume Properties
Accessible surface: 591.515	Positive charged surface: 344.632	Negative charged surface: 246.883	Volume: 327.875
Hydrophobic surface: 443.034	Hydrophilic surface: 148.481

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00563290
CHEMBLOCK-ZINC04622729