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MMsINC code: MMs01862347

Type: Neutral
Formula: C₂₀H₂₅FN₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccc(F)cc1)CC(=O)NCCC(C)C)c1ccccc1

InChI:

InChI=1/C20H25FN2O3S/c1-16(2)12-13-22-20(24)15-23(14-17-8-10-18(21)11-9-17)27(25,26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4938 kcal/mol

Physical Properties
Molecular Weight: 392.495 g/mol	logS: -5.09331	SlogP: 3.4453	Reactive groups: 0

Topological Properties
Globularity: 0.0543709	Sterimol/B1: 3.1723	Sterimol/B2: 4.43878	Sterimol/B3: 6.43744
Sterimol/B4: 6.9562	Sterimol/L: 17.2832

Surface and Volume Properties
Accessible surface: 651.593	Positive charged surface: 388.564	Negative charged surface: 263.029	Volume: 369.125
Hydrophobic surface: 529.366	Hydrophilic surface: 122.227

Pharmacophoric Properties
Hydrogen bond donors: 1	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.