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MMsINC code: MMs00729482

Type: Neutral
Formula: C₁₅H₁₂FNO₄

SMILES:

Fc1ccc(NC(=O)COc2ccc(cc2)C(O)=O)cc1

InChI:

InChI=1/C15H12FNO4/c16-11-3-5-12(6-4-11)17-14(18)9-21-13-7-1-10(2-8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7338 kcal/mol

Physical Properties
Molecular Weight: 289.262 g/mol	logS: -3.69607	SlogP: 2.5414	Reactive groups: 0

Topological Properties
Globularity: 0.00963393	Sterimol/B1: 2.27803	Sterimol/B2: 2.69704	Sterimol/B3: 2.93149
Sterimol/B4: 5.19882	Sterimol/L: 18.3171

Surface and Volume Properties
Accessible surface: 519.068	Positive charged surface: 278.3	Negative charged surface: 240.768	Volume: 254
Hydrophobic surface: 370.075	Hydrophilic surface: 148.993

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

MMs00729483
CHEMBRIDGE-ZINC02865935