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MMsINC code: MMs00927615

Type: Ionized
Formula: C₁₉H₁₆FN₂O₃-

SMILES:

Fc1ccccc1NC(=O)Cc1c2c(n(CC)c1C(=O)[O-])cccc2

InChI:

InChI=1/C19H17FN2O3/c1-2-22-16-10-6-3-7-12(16)13(18(22)19(24)25)11-17(23)21-15-9-5-4-8-14(15)20/h3-10H,2,11H2,1H3,(H,21,23)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0272 kcal/mol

Physical Properties
Molecular Weight: 339.346 g/mol	logS: -4.60521	SlogP: 2.61137	Reactive groups: 0

Topological Properties
Globularity: 0.0957965	Sterimol/B1: 2.3641	Sterimol/B2: 3.28405	Sterimol/B3: 4.20111
Sterimol/B4: 8.34553	Sterimol/L: 14.7774

Surface and Volume Properties
Accessible surface: 556.071	Positive charged surface: 305.58	Negative charged surface: 245.397	Volume: 313.375
Hydrophobic surface: 454.985	Hydrophilic surface: 101.086

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs00927614
CHEMDIV-ZINC04116143