MMsINC Database Search


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MMsINC code: MMs02763494

Type: Neutral
Formula: C₁₄H₁₃ClFNO₂S

SMILES:

Clc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2)c1C

InChI:

InChI=1/C14H13ClFNO2S/c1-9-8-11(6-7-13(9)16)20(18,19)17-14-5-3-4-12(15)10(14)2/h3-8,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4445 kcal/mol

Physical Properties
Molecular Weight: 313.78 g/mol	logS: -4.39693	SlogP: 3.89674	Reactive groups: 0

Topological Properties
Globularity: 0.26122	Sterimol/B1: 3.40929	Sterimol/B2: 3.91176	Sterimol/B3: 5.42532
Sterimol/B4: 5.71923	Sterimol/L: 12.5421

Surface and Volume Properties
Accessible surface: 490.397	Positive charged surface: 219.352	Negative charged surface: 271.045	Volume: 263.875
Hydrophobic surface: 417.007	Hydrophilic surface: 73.39

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.