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MMsINC code: MMs01417439

Type: Neutral
Formula: C₁₉H₁₉F₂NO₃

SMILES:

Fc1cccc(F)c1C(OCC(=O)Nc1ccccc1C(C)(C)C)=O

InChI:

InChI=1/C19H19F2NO3/c1-19(2,3)12-7-4-5-10-15(12)22-16(23)11-25-18(24)17-13(20)8-6-9-14(17)21/h4-10H,11H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.031 kcal/mol

Physical Properties
Molecular Weight: 347.361 g/mol	logS: -6.05913	SlogP: 4.0578	Reactive groups: 0

Topological Properties
Globularity: 0.0596605	Sterimol/B1: 3.07088	Sterimol/B2: 3.35937	Sterimol/B3: 4.40264
Sterimol/B4: 6.90385	Sterimol/L: 17.3465

Surface and Volume Properties
Accessible surface: 596.755	Positive charged surface: 316.246	Negative charged surface: 280.51	Volume: 317.5
Hydrophobic surface: 483.781	Hydrophilic surface: 112.974

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.