MMsINC Database Search


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MMsINC code: MMs01395585

Type: Neutral
Formula: C₁₂H₇ClF₄N₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)NNc2c(F)c(F)cc(F)c2F)cc1

InChI:

InChI=1/C12H7ClF4N2O2S/c13-6-1-3-7(4-2-6)22(20,21)19-18-12-10(16)8(14)5-9(15)11(12)17/h1-5,18-19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2568 kcal/mol

Physical Properties
Molecular Weight: 354.711 g/mol	logS: -4.94086	SlogP: 3.2018	Reactive groups: 0

Topological Properties
Globularity: 0.0592939	Sterimol/B1: 2.39625	Sterimol/B2: 3.88448	Sterimol/B3: 4.28213
Sterimol/B4: 5.22126	Sterimol/L: 15.2774

Surface and Volume Properties
Accessible surface: 499.349	Positive charged surface: 174.704	Negative charged surface: 324.645	Volume: 251.75
Hydrophobic surface: 413.903	Hydrophilic surface: 85.446

Pharmacophoric Properties
Hydrogen bond donors: 2	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.