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MMsINC code: MMs03175575

Type: Neutral
Formula: C₁₅H₁₂FNO₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1cccc(C)c1C(O)=O

InChI:

InChI=1/C15H12FNO3/c1-9-3-2-4-12(13(9)15(19)20)17-14(18)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3952 kcal/mol

Physical Properties
Molecular Weight: 273.263 g/mol	logS: -4.09317	SlogP: 3.08462	Reactive groups: 0

Topological Properties
Globularity: 0.0268833	Sterimol/B1: 2.69956	Sterimol/B2: 3.07334	Sterimol/B3: 4.01658
Sterimol/B4: 5.70012	Sterimol/L: 14.951

Surface and Volume Properties
Accessible surface: 482.946	Positive charged surface: 238.639	Negative charged surface: 244.307	Volume: 244.25
Hydrophobic surface: 372.413	Hydrophilic surface: 110.533

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

MMs03175576
PUBCHEM-ZINC04823912