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MMsINC code: MMs01547839

Type: Neutral
Formula: C₁₉H₂₂FNOS

SMILES:

S(C(C(=O)Nc1ccccc1C(CC)C)C)c1ccc(F)cc1

InChI:

InChI=1/C19H22FNOS/c1-4-13(2)17-7-5-6-8-18(17)21-19(22)14(3)23-16-11-9-15(20)10-12-16/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3921 kcal/mol

Physical Properties
Molecular Weight: 331.455 g/mol	logS: -6.73103	SlogP: 5.4585	Reactive groups: 0

Topological Properties
Globularity: 0.14529	Sterimol/B1: 3.47237	Sterimol/B2: 3.82199	Sterimol/B3: 4.38288
Sterimol/B4: 7.21026	Sterimol/L: 15.5929

Surface and Volume Properties
Accessible surface: 586.98	Positive charged surface: 324.755	Negative charged surface: 262.225	Volume: 325
Hydrophobic surface: 479.584	Hydrophilic surface: 107.396

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.