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MMsINC code: MMs03191686

Type: Neutral
Formula: C₁₅H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)CC(NC2CCCC2)C(O)=O)cc1

InChI:

InChI=1/C15H19FN2O3/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(20)21)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2,(H,18,19)(H,20,21)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9224 kcal/mol

Physical Properties
Molecular Weight: 294.326 g/mol	logS: -2.48257	SlogP: 2.1397	Reactive groups: 0

Topological Properties
Globularity: 0.0936285	Sterimol/B1: 2.48496	Sterimol/B2: 4.4874	Sterimol/B3: 4.55943
Sterimol/B4: 6.35532	Sterimol/L: 14.0511

Surface and Volume Properties
Accessible surface: 526.912	Positive charged surface: 344.587	Negative charged surface: 182.325	Volume: 273.25
Hydrophobic surface: 408.822	Hydrophilic surface: 118.09

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.