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MMsINC code: MMs01264707

Type: Neutral
Formula: C₁₈H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC1CCCCC1

InChI:

InChI=1/C18H25FN2O2/c1-12(2)16(18(23)20-13-8-4-3-5-9-13)21-17(22)14-10-6-7-11-15(14)19/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,20,23)(H,21,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2381 kcal/mol

Physical Properties
Molecular Weight: 320.408 g/mol	logS: -4.20045	SlogP: 3.029	Reactive groups: 0

Topological Properties
Globularity: 0.0925836	Sterimol/B1: 2.01471	Sterimol/B2: 3.56736	Sterimol/B3: 5.68814
Sterimol/B4: 6.35838	Sterimol/L: 17.1258

Surface and Volume Properties
Accessible surface: 577.671	Positive charged surface: 381.388	Negative charged surface: 196.283	Volume: 316
Hydrophobic surface: 488.316	Hydrophilic surface: 89.355

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.