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MMsINC code: MMs02690242

Type: Neutral
Formula: C₁₁H₉Cl₂N₃O₂S

SMILES:

Clc1c(Nc2ncccc2S(=O)(=O)N)cccc1Cl

InChI:

InChI=1/C11H9Cl2N3O2S/c12-7-3-1-4-8(10(7)13)16-11-9(19(14,17)18)5-2-6-15-11/h1-6H,(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)=38.8745 kcal/mol

Physical Properties
Molecular Weight: 318.184 g/mol	logS: -3.75351	SlogP: 2.7794	Reactive groups: 0

Topological Properties
Globularity: 0.0764129	Sterimol/B1: 2.50112	Sterimol/B2: 3.83759	Sterimol/B3: 4.11378
Sterimol/B4: 5.89626	Sterimol/L: 12.9803

Surface and Volume Properties
Accessible surface: 470.918	Positive charged surface: 207.137	Negative charged surface: 263.781	Volume: 244.875
Hydrophobic surface: 344.223	Hydrophilic surface: 126.695

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

MMs02690243
PUBCHEM-ZINC00481476