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MMsINC code: MMs01538149

Type: Neutral
Formula: C₁₂H₁₁ClN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N)ccc2)ccc1

InChI:

InChI=1/C12H11ClN2O4S2/c13-9-3-1-6-12(7-9)21(18,19)15-10-4-2-5-11(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.5417 kcal/mol

Physical Properties
Molecular Weight: 346.815 g/mol	logS: -4.00762	SlogP: 1.7882	Reactive groups: 0

Topological Properties
Globularity: 0.25851	Sterimol/B1: 2.93421	Sterimol/B2: 3.66418	Sterimol/B3: 5.57645
Sterimol/B4: 6.26362	Sterimol/L: 12.3907

Surface and Volume Properties
Accessible surface: 506.242	Positive charged surface: 206.275	Negative charged surface: 299.968	Volume: 265.75
Hydrophobic surface: 299.738	Hydrophilic surface: 206.504

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01538150
ENAMINE-ZINC04297072