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MMsINC code: MMs02089228

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S₂

SMILES:

Clc1cc(NC(=O)C2N(S(=O)(=O)c3sccc3)CCC2)cc(Cl)c1

InChI:

InChI=1/C15H14Cl2N2O3S2/c16-10-7-11(17)9-12(8-10)18-15(20)13-3-1-5-19(13)24(21,22)14-4-2-6-23-14/h2,4,6-9,13H,1,3,5H2,(H,18,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3353 kcal/mol

Physical Properties
Molecular Weight: 405.326 g/mol	logS: -5.28084	SlogP: 3.8467	Reactive groups: 0

Topological Properties
Globularity: 0.132855	Sterimol/B1: 2.78643	Sterimol/B2: 3.38763	Sterimol/B3: 4.42913
Sterimol/B4: 8.89845	Sterimol/L: 13.198

Surface and Volume Properties
Accessible surface: 581.541	Positive charged surface: 251.86	Negative charged surface: 329.681	Volume: 321.5
Hydrophobic surface: 510.586	Hydrophilic surface: 70.955

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.