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MMsINC code: MMs00931805

Type: Ionized
Formula: C₂₀H₁₈FN₂O₃-

SMILES:

Fc1ccc(N(C(=O)Cc2c3c(n(C)c2C(=O)[O-])cccc3)CC)cc1

InChI:

InChI=1/C20H19FN2O3/c1-3-23(14-10-8-13(21)9-11-14)18(24)12-16-15-6-4-5-7-17(15)22(2)19(16)20(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2598 kcal/mol

Physical Properties
Molecular Weight: 353.373 g/mol	logS: -4.49922	SlogP: 2.63567	Reactive groups: 0

Topological Properties
Globularity: 0.183812	Sterimol/B1: 2.38919	Sterimol/B2: 4.24679	Sterimol/B3: 5.39005
Sterimol/B4: 6.96758	Sterimol/L: 15.6819

Surface and Volume Properties
Accessible surface: 567.52	Positive charged surface: 324.931	Negative charged surface: 239.251	Volume: 333.5
Hydrophobic surface: 470.122	Hydrophilic surface: 97.398

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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:

MMs00931804
CHEMDIV-ZINC04192569