MMsINC Database Search


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MMsINC code: MMs01414973

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1ccccc1C(C)(C)C)=O

InChI:

InChI=1/C19H20FNO3/c1-19(2,3)14-9-5-7-11-16(14)21-17(22)12-24-18(23)13-8-4-6-10-15(13)20/h4-11H,12H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.546 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.76415	SlogP: 3.9187	Reactive groups: 0

Topological Properties
Globularity: 0.0315837	Sterimol/B1: 2.88056	Sterimol/B2: 3.08738	Sterimol/B3: 4.0922
Sterimol/B4: 6.83726	Sterimol/L: 17.3224

Surface and Volume Properties
Accessible surface: 583.472	Positive charged surface: 332.874	Negative charged surface: 250.598	Volume: 315.375
Hydrophobic surface: 469.966	Hydrophilic surface: 113.506

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.