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MMsINC code: MMs00927614

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9897 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.34476	SlogP: 3.94607	Reactive groups: 0

Topological Properties
Globularity: 0.103162	Sterimol/B1: 3.68245	Sterimol/B2: 4.06969	Sterimol/B3: 4.30103
Sterimol/B4: 7.59735	Sterimol/L: 15.7984

Surface and Volume Properties
Accessible surface: 574.568	Positive charged surface: 333.131	Negative charged surface: 237.898	Volume: 314
Hydrophobic surface: 449.379	Hydrophilic surface: 125.189

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00927615
CHEMDIV-ZINC04116143