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MMsINC code: MMs01973146

Type: Ionized
Formula: C₁₆H₁₃FNO₃-

SMILES:

Fc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H14FNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/p-1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1306 kcal/mol

Physical Properties
Molecular Weight: 286.282 g/mol	logS: -3.91165	SlogP: 0.91667	Reactive groups: 0

Topological Properties
Globularity: 0.158572	Sterimol/B1: 2.53498	Sterimol/B2: 3.40657	Sterimol/B3: 4.00522
Sterimol/B4: 8.64702	Sterimol/L: 13.3774

Surface and Volume Properties
Accessible surface: 500.873	Positive charged surface: 241.704	Negative charged surface: 259.17	Volume: 264.125
Hydrophobic surface: 394.975	Hydrophilic surface: 105.898

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs01973145
IFLAB-ZINC00077521