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MMsINC code: MMs00908547

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)NCCC(C)C)c1ccc(F)cc1

InChI:

InChI=1/C19H23FN2O3S/c1-14(2)11-12-21-19(23)16-5-3-15(4-6-16)13-22-26(24,25)18-9-7-17(20)8-10-18/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4391 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.99129	SlogP: 3.3465	Reactive groups: 0

Topological Properties
Globularity: 0.032537	Sterimol/B1: 3.27513	Sterimol/B2: 3.57621	Sterimol/B3: 4.8401
Sterimol/B4: 5.45642	Sterimol/L: 21.4715

Surface and Volume Properties
Accessible surface: 657.142	Positive charged surface: 370.736	Negative charged surface: 286.406	Volume: 352.75
Hydrophobic surface: 489.252	Hydrophilic surface: 167.89

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.