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MMsINC code: MMs00522614

Type: Neutral
Formula: C₂₀H₁₈ClFN₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)NCC(Nc2ccc(F)cc2)c2ccccc2)cc1

InChI:

InChI=1/C20H18ClFN2O2S/c21-16-6-12-19(13-7-16)27(25,26)23-14-20(15-4-2-1-3-5-15)24-18-10-8-17(22)9-11-18/h1-13,20,23-24H,14H2/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.197 kcal/mol

Physical Properties
Molecular Weight: 404.893 g/mol	logS: -5.61083	SlogP: 4.7063	Reactive groups: 0

Topological Properties
Globularity: 0.130301	Sterimol/B1: 2.50728	Sterimol/B2: 4.17933	Sterimol/B3: 4.26898
Sterimol/B4: 9.20909	Sterimol/L: 17.2247

Surface and Volume Properties
Accessible surface: 649.233	Positive charged surface: 286.993	Negative charged surface: 362.24	Volume: 356.75
Hydrophobic surface: 566.172	Hydrophilic surface: 83.061

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