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MMsINC code: MMs01618596

Type: Neutral
Formula: C₁₈H₂₀FN₃O₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)N(CC(=O)Nc1cc(F)ccc1)C

InChI:

InChI=1/C18H20FN3O4S/c1-21(2)27(25,26)16-9-4-6-13(10-16)18(24)22(3)12-17(23)20-15-8-5-7-14(19)11-15/h4-11H,12H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2271 kcal/mol

Physical Properties
Molecular Weight: 393.439 g/mol	logS: -3.62999	SlogP: 1.7867	Reactive groups: 0

Topological Properties
Globularity: 0.0765326	Sterimol/B1: 2.4458	Sterimol/B2: 3.82503	Sterimol/B3: 4.02594
Sterimol/B4: 8.44867	Sterimol/L: 16.6136

Surface and Volume Properties
Accessible surface: 641.941	Positive charged surface: 403.817	Negative charged surface: 238.124	Volume: 346.25
Hydrophobic surface: 512.996	Hydrophilic surface: 128.945

Pharmacophoric Properties
Hydrogen bond donors: 1	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.