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MMsINC code: MMs01114769

Type: Neutral
Formula: C₁₀H₁₁Cl₃N₂O₃S

SMILES:

ClC(Cl)(Cl)C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C10H11Cl3N2O3S/c11-10(12,13)9(16)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H,15,16)(H2,14,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.887 kcal/mol

Physical Properties
Molecular Weight: 345.634 g/mol	logS: -4.22685	SlogP: 1.78277	Reactive groups: 0

Topological Properties
Globularity: 0.0576443	Sterimol/B1: 2.41989	Sterimol/B2: 2.75902	Sterimol/B3: 4.01884
Sterimol/B4: 4.81584	Sterimol/L: 16.8597

Surface and Volume Properties
Accessible surface: 531.752	Positive charged surface: 189.226	Negative charged surface: 342.526	Volume: 261.625
Hydrophobic surface: 184.305	Hydrophilic surface: 347.447

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

MMs01114770
CHEMSTAR-ZINC04524797