MMsINC Database Search


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MMsINC code: MMs01077429

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(NC(C)(C)C)c1ccc(NC(=O)c2ccccc2F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-17(2,3)20-24(22,23)13-10-8-12(9-11-13)19-16(21)14-6-4-5-7-15(14)18/h4-11,20H,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0973 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -4.46946	SlogP: 3.1548	Reactive groups: 0

Topological Properties
Globularity: 0.0573073	Sterimol/B1: 3.23563	Sterimol/B2: 3.47466	Sterimol/B3: 4.72194
Sterimol/B4: 5.58873	Sterimol/L: 17.5623

Surface and Volume Properties
Accessible surface: 568.177	Positive charged surface: 309.883	Negative charged surface: 258.294	Volume: 310
Hydrophobic surface: 416.347	Hydrophilic surface: 151.83

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.