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MMsINC code: MMs00894237

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(NC(Cc1ccccc1)C(=O)N1CCCCC1)c1ccc(F)cc1

InChI:

InChI=1/C20H23FN2O3S/c21-17-9-11-18(12-10-17)27(25,26)22-19(15-16-7-3-1-4-8-16)20(24)23-13-5-2-6-14-23/h1,3-4,7-12,19,22H,2,5-6,13-15H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0992 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.16794	SlogP: 2.72777	Reactive groups: 0

Topological Properties
Globularity: 0.2249	Sterimol/B1: 2.097	Sterimol/B2: 4.09309	Sterimol/B3: 5.19193
Sterimol/B4: 7.68561	Sterimol/L: 14.6657

Surface and Volume Properties
Accessible surface: 570.169	Positive charged surface: 342.337	Negative charged surface: 227.831	Volume: 357.875
Hydrophobic surface: 477.604	Hydrophilic surface: 92.565

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.