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MMsINC code: MMs01239254

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃S

SMILES:

Clc1cc(NC(=O)NS(=O)(=O)c2ccc(cc2)C)cc(Cl)c1

InChI:

InChI=1/C14H12Cl2N2O3S/c1-9-2-4-13(5-3-9)22(20,21)18-14(19)17-12-7-10(15)6-11(16)8-12/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.897254 kcal/mol

Physical Properties
Molecular Weight: 359.233 g/mol	logS: -5.41764	SlogP: 3.81222	Reactive groups: 0

Topological Properties
Globularity: 0.13757	Sterimol/B1: 2.36024	Sterimol/B2: 4.09304	Sterimol/B3: 5.24843
Sterimol/B4: 7.89458	Sterimol/L: 14.4793

Surface and Volume Properties
Accessible surface: 558.799	Positive charged surface: 225.308	Negative charged surface: 333.491	Volume: 291.375
Hydrophobic surface: 441.804	Hydrophilic surface: 116.995

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01239255
ENAMINE-ZINC01231743