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MMsINC code: MMs00790419

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C

InChI:

InChI=1/C18H19FN2O2/c1-18(2,3)21-17(23)14-9-4-5-10-15(14)20-16(22)12-7-6-8-13(19)11-12/h4-11H,1-3H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0166 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.77761	SlogP: 3.6063	Reactive groups: 0

Topological Properties
Globularity: 0.0672345	Sterimol/B1: 2.32486	Sterimol/B2: 2.79334	Sterimol/B3: 4.89313
Sterimol/B4: 8.96436	Sterimol/L: 14.6458

Surface and Volume Properties
Accessible surface: 560.86	Positive charged surface: 318.834	Negative charged surface: 242.026	Volume: 303.25
Hydrophobic surface: 464.753	Hydrophilic surface: 96.107

Pharmacophoric Properties
Hydrogen bond donors: 2	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.