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MMsINC code: MMs00793691

Type: Neutral
Formula: C₂₁H₁₄F₂N₂O₄

SMILES:

Fc1ccccc1C(=O)Nc1cc(cc(NC(=O)c2ccccc2F)c1)C(O)=O

InChI:

InChI=1/C21H14F2N2O4/c22-17-7-3-1-5-15(17)19(26)24-13-9-12(21(28)29)10-14(11-13)25-20(27)16-6-2-4-8-18(16)23/h1-11H,(H,24,26)(H,25,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.829 kcal/mol

Physical Properties
Molecular Weight: 396.349 g/mol	logS: -5.88422	SlogP: 4.1676	Reactive groups: 0

Topological Properties
Globularity: 0.0207311	Sterimol/B1: 2.097	Sterimol/B2: 3.32672	Sterimol/B3: 4.69172
Sterimol/B4: 8.98519	Sterimol/L: 17.1986

Surface and Volume Properties
Accessible surface: 629.691	Positive charged surface: 325.019	Negative charged surface: 304.672	Volume: 337.875
Hydrophobic surface: 474.641	Hydrophilic surface: 155.05

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00793692
CHEMBRIDGE-ZINC04822611