MMsINC Database Search


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MMsINC code: MMs01651071

Type: Neutral
Formula: C₁₄H₁₃ClF₂N₂O₄S₂

SMILES:

Clc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2)cc1S(=O)(=O)N(C)C

InChI:

InChI=1/C14H13ClF2N2O4S2/c1-19(2)25(22,23)14-7-9(3-5-11(14)15)18-24(20,21)10-4-6-12(16)13(17)8-10/h3-8,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9752 kcal/mol

Physical Properties
Molecular Weight: 410.849 g/mol	logS: -4.28453	SlogP: 2.6693	Reactive groups: 0

Topological Properties
Globularity: 0.177247	Sterimol/B1: 3.99592	Sterimol/B2: 4.33018	Sterimol/B3: 4.44673
Sterimol/B4: 5.57877	Sterimol/L: 14.0304

Surface and Volume Properties
Accessible surface: 553.766	Positive charged surface: 272.244	Negative charged surface: 281.522	Volume: 310.625
Hydrophobic surface: 419.188	Hydrophilic surface: 134.578

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.