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MMsINC code: MMs01625418

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(C(=O)NCc2ccc(cc2)C)c(F)cc1

InChI:

InChI=1/C19H23FN2O3S/c1-4-22(5-2)26(24,25)16-10-11-18(20)17(12-16)19(23)21-13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.031 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -4.63579	SlogP: 3.36102	Reactive groups: 0

Topological Properties
Globularity: 0.0839099	Sterimol/B1: 2.19093	Sterimol/B2: 3.51996	Sterimol/B3: 5.69309
Sterimol/B4: 7.77008	Sterimol/L: 16.6385

Surface and Volume Properties
Accessible surface: 632.02	Positive charged surface: 372.12	Negative charged surface: 259.9	Volume: 350.75
Hydrophobic surface: 498.836	Hydrophilic surface: 133.184

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.