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MMsINC code: MMs01798736

Type: Ionized
Formula: C₂₁H₁₄FN₂O₄-

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C(=O)[O-]

InChI:

InChI=1/C21H15FN2O4/c22-15-7-3-5-13(11-15)19(25)24-18-10-2-1-9-17(18)20(26)23-16-8-4-6-14(12-16)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0994 kcal/mol

Physical Properties
Molecular Weight: 377.351 g/mol	logS: -5.84969	SlogP: 2.6938	Reactive groups: 0

Topological Properties
Globularity: 0.0578714	Sterimol/B1: 2.46167	Sterimol/B2: 2.96366	Sterimol/B3: 3.78714
Sterimol/B4: 10.996	Sterimol/L: 14.5919

Surface and Volume Properties
Accessible surface: 617.5	Positive charged surface: 289.206	Negative charged surface: 328.295	Volume: 336.75
Hydrophobic surface: 471.938	Hydrophilic surface: 145.562

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

search links for this molecule:

Parent related molecule:

MMs01798735
IBS-ZINC02195657