MMsINC Database Search


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MMsINC code: MMs00593720

Type: Neutral
Formula: C₁₅H₁₂FNO₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7215 kcal/mol

Physical Properties
Molecular Weight: 273.263 g/mol	logS: -4.03158	SlogP: 2.8646	Reactive groups: 0

Topological Properties
Globularity: 0.0120586	Sterimol/B1: 2.36323	Sterimol/B2: 2.78875	Sterimol/B3: 3.55289
Sterimol/B4: 3.89557	Sterimol/L: 17.7678

Surface and Volume Properties
Accessible surface: 497.17	Positive charged surface: 283.336	Negative charged surface: 213.834	Volume: 247.125
Hydrophobic surface: 420.978	Hydrophilic surface: 76.192

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.