MMsINC Database Search


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MMsINC code: MMs01589966

Type: Neutral
Formula: C₁₃H₁₀ClF₂NO₄S₂

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1

InChI:

InChI=1/C13H10ClF2NO4S2/c14-11-3-1-2-4-12(11)23(20,21)17-9-5-7-10(8-6-9)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)=63.5597 kcal/mol

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

Topological Properties
Globularity: 0.171017	Sterimol/B1: 2.58637	Sterimol/B2: 3.13895	Sterimol/B3: 4.87108
Sterimol/B4: 6.6352	Sterimol/L: 13.6394

Surface and Volume Properties
Accessible surface: 512.41	Positive charged surface: 193.761	Negative charged surface: 318.649	Volume: 279.25
Hydrophobic surface: 305.465	Hydrophilic surface: 206.945

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.