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MMsINC code: MMs00904159

Type: Neutral
Formula: C₁₇H₁₆ClFN₂O₄S

SMILES:

Clc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1

InChI:

InChI=1/C17H16ClFN2O4S/c18-12-1-3-13(4-2-12)20-17(22)15-11-14(5-6-16(15)19)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.23 kcal/mol

Physical Properties
Molecular Weight: 398.842 g/mol	logS: -4.58918	SlogP: 2.7523	Reactive groups: 0

Topological Properties
Globularity: 0.0626165	Sterimol/B1: 3.00082	Sterimol/B2: 3.83989	Sterimol/B3: 4.57417
Sterimol/B4: 7.35887	Sterimol/L: 17.9156

Surface and Volume Properties
Accessible surface: 598.133	Positive charged surface: 318.654	Negative charged surface: 279.479	Volume: 328
Hydrophobic surface: 497.484	Hydrophilic surface: 100.649

Pharmacophoric Properties
Hydrogen bond donors: 1	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.