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MMsINC code: MMs01012758

Type: Neutral
Formula: C₁₄H₁₃FN₂O₄

SMILES:

Fc1cc2c(n(CC(=O)C)c(C(O)=O)c2NC(=O)C)cc1

InChI:

InChI=1/C14H13FN2O4/c1-7(18)6-17-11-4-3-9(15)5-10(11)12(16-8(2)19)13(17)14(20)21/h3-5H,6H2,1-2H3,(H,16,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9062 kcal/mol

Physical Properties
Molecular Weight: 292.266 g/mol	logS: -2.53425	SlogP: 2.2924	Reactive groups: 1

Topological Properties
Globularity: 0.0461751	Sterimol/B1: 2.79785	Sterimol/B2: 3.35945	Sterimol/B3: 4.65907
Sterimol/B4: 6.50022	Sterimol/L: 13.5388

Surface and Volume Properties
Accessible surface: 483.339	Positive charged surface: 272.144	Negative charged surface: 206.314	Volume: 252.5
Hydrophobic surface: 342.215	Hydrophilic surface: 141.124

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs01012759
CHEMDIV-ZINC06749997