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MMsINC code: MMs00793692

Type: Ionized
Formula: C₂₁H₁₃F₂N₂O₄-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4567 kcal/mol

Physical Properties
Molecular Weight: 395.341 g/mol	logS: -6.14467	SlogP: 2.8329	Reactive groups: 0

Topological Properties
Globularity: 0.032066	Sterimol/B1: 2.15871	Sterimol/B2: 4.04206	Sterimol/B3: 4.04759
Sterimol/B4: 7.91873	Sterimol/L: 18.8944

Surface and Volume Properties
Accessible surface: 637.268	Positive charged surface: 290.683	Negative charged surface: 346.585	Volume: 343.5
Hydrophobic surface: 475.374	Hydrophilic surface: 161.894

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs00793691
CHEMBRIDGE-ZINC04822611