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MMsINC code: MMs00894236

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7424 kcal/mol

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

Topological Properties
Globularity: 0.260772	Sterimol/B1: 2.62067	Sterimol/B2: 3.38354	Sterimol/B3: 5.51395
Sterimol/B4: 8.40262	Sterimol/L: 14.2086

Surface and Volume Properties
Accessible surface: 592.946	Positive charged surface: 356.258	Negative charged surface: 236.687	Volume: 354.375
Hydrophobic surface: 521.168	Hydrophilic surface: 71.778

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.