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MMsINC code: MMs01513261

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₄S

SMILES:

Clc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2)ccc1F

InChI:

InChI=1/C20H16ClFN2O4S/c1-28-16-8-5-14(6-9-16)24-29(26,27)17-4-2-3-13(11-17)20(25)23-15-7-10-19(22)18(21)12-15/h2-12,24H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0915 kcal/mol

Physical Properties
Molecular Weight: 434.875 g/mol	logS: -6.09636	SlogP: 4.5408	Reactive groups: 0

Topological Properties
Globularity: 0.0740795	Sterimol/B1: 2.41349	Sterimol/B2: 4.32617	Sterimol/B3: 4.3705
Sterimol/B4: 8.06023	Sterimol/L: 19.1762

Surface and Volume Properties
Accessible surface: 661.257	Positive charged surface: 331.35	Negative charged surface: 329.907	Volume: 362.125
Hydrophobic surface: 533.151	Hydrophilic surface: 128.106

Pharmacophoric Properties
Hydrogen bond donors: 2	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.