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MMsINC code: MMs01508317

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C20H23FN2O3S/c21-16-9-11-18(12-10-16)23-27(25,26)19-13-7-15(8-14-19)20(24)22-17-5-3-1-2-4-6-17/h7-14,17,23H,1-6H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6825 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -5.47419	SlogP: 4.0791	Reactive groups: 0

Topological Properties
Globularity: 0.074712	Sterimol/B1: 2.4959	Sterimol/B2: 5.05939	Sterimol/B3: 5.50507
Sterimol/B4: 5.82596	Sterimol/L: 17.6537

Surface and Volume Properties
Accessible surface: 634.484	Positive charged surface: 372.326	Negative charged surface: 262.158	Volume: 356.25
Hydrophobic surface: 518.664	Hydrophilic surface: 115.82

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.