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MMsINC code: MMs00554076

Type: Ionized
Formula: C₁₆H₁₀F₃N₂O₄-

SMILES:

FC(F)(F)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C16H11F3N2O4/c17-16(18,19)15(25)20-10-7-5-9(6-8-10)13(22)21-12-4-2-1-3-11(12)14(23)24/h1-8H,(H,20,25)(H,21,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4021 kcal/mol

Physical Properties
Molecular Weight: 351.26 g/mol	logS: -4.8698	SlogP: 2.2231	Reactive groups: 0

Topological Properties
Globularity: 0.010288	Sterimol/B1: 2.67763	Sterimol/B2: 2.82438	Sterimol/B3: 3.95644
Sterimol/B4: 5.39627	Sterimol/L: 18.0528

Surface and Volume Properties
Accessible surface: 538.31	Positive charged surface: 206.677	Negative charged surface: 331.633	Volume: 282.625
Hydrophobic surface: 278.89	Hydrophilic surface: 259.42

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:

MMs00554075
CHEMBLOCK-ZINC04491985