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MMsINC code: MMs00574185

Type: Neutral
Formula: C₁₅H₁₃FN₂O₄

SMILES:

Fc1ccc(NCC(=O)Nc2cccc(C(O)=O)c2O)cc1

InChI:

InChI=1/C15H13FN2O4/c16-9-4-6-10(7-5-9)17-8-13(19)18-12-3-1-2-11(14(12)20)15(21)22/h1-7,17,20H,8H2,(H,18,19)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3374 kcal/mol

Physical Properties
Molecular Weight: 304.277 g/mol	logS: -3.0802	SlogP: 2.2801	Reactive groups: 0

Topological Properties
Globularity: 0.0096342	Sterimol/B1: 2.13946	Sterimol/B2: 2.5384	Sterimol/B3: 2.97054
Sterimol/B4: 5.91225	Sterimol/L: 18.4745

Surface and Volume Properties
Accessible surface: 523.157	Positive charged surface: 302.449	Negative charged surface: 220.708	Volume: 263.75
Hydrophobic surface: 338.57	Hydrophilic surface: 184.587

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs00574186
CHEMBLOCK-ZINC04726834