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MMsINC code: MMs01062811

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₃S

SMILES:

Clc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F

InChI:

InChI=1/C18H18ClFN2O3S/c19-16-6-2-1-5-13(16)12-21-18(23)15-11-14(7-8-17(15)20)26(24,25)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4681 kcal/mol

Physical Properties
Molecular Weight: 396.87 g/mol	logS: -4.79412	SlogP: 3.46	Reactive groups: 0

Topological Properties
Globularity: 0.111103	Sterimol/B1: 2.7403	Sterimol/B2: 2.94475	Sterimol/B3: 5.0714
Sterimol/B4: 8.26175	Sterimol/L: 14.2119

Surface and Volume Properties
Accessible surface: 620.431	Positive charged surface: 327.215	Negative charged surface: 293.216	Volume: 340.625
Hydrophobic surface: 521.629	Hydrophilic surface: 98.802

Pharmacophoric Properties
Hydrogen bond donors: 1	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.