MMsINC Database Search


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MMsINC code: MMs01381301

Type: Neutral
Formula: C₁₃H₁₀ClF₂NO₄S₂

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1

InChI:

InChI=1/C13H10ClF2NO4S2/c14-9-1-5-12(6-2-9)23(20,21)17-10-3-7-11(8-4-10)22(18,19)13(15)16/h1-8,13,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0869 kcal/mol

Physical Properties
Molecular Weight: 381.807 g/mol	logS: -4.00557	SlogP: 3.557	Reactive groups: 0

Topological Properties
Globularity: 0.142883	Sterimol/B1: 2.44457	Sterimol/B2: 3.93015	Sterimol/B3: 5.24145
Sterimol/B4: 6.52691	Sterimol/L: 14.2305

Surface and Volume Properties
Accessible surface: 529.798	Positive charged surface: 191.528	Negative charged surface: 338.271	Volume: 280.375
Hydrophobic surface: 314.883	Hydrophilic surface: 214.915

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.