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MMsINC code: MMs00908542

Type: Neutral
Formula: C₂₀H₂₅FN₂O₄S

SMILES:

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

InChI:

InChI=1/C20H25FN2O4S/c1-15(2)27-13-3-12-22-20(24)17-6-4-16(5-7-17)14-23-28(25,26)19-10-8-18(21)9-11-19/h4-11,15,23H,3,12-14H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.248 kcal/mol

Physical Properties
Molecular Weight: 408.494 g/mol	logS: -4.4307	SlogP: 3.1155	Reactive groups: 0

Topological Properties
Globularity: 0.0254275	Sterimol/B1: 2.85223	Sterimol/B2: 4.13417	Sterimol/B3: 4.88045
Sterimol/B4: 5.16419	Sterimol/L: 23.6559

Surface and Volume Properties
Accessible surface: 722.52	Positive charged surface: 425.436	Negative charged surface: 297.084	Volume: 378.75
Hydrophobic surface: 544.875	Hydrophilic surface: 177.645

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.