MMsINC Database Search


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MMsINC code: MMs00194502

Type: Neutral
Formula: C₁₁H₈Cl₂N₂O₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccncc1

InChI:

InChI=1/C11H8Cl2N2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.9132 kcal/mol

Physical Properties
Molecular Weight: 303.169 g/mol	logS: -3.25716	SlogP: 3.1892	Reactive groups: 0

Topological Properties
Globularity: 0.343555	Sterimol/B1: 3.3758	Sterimol/B2: 4.39909	Sterimol/B3: 5.38642
Sterimol/B4: 5.64276	Sterimol/L: 10.564

Surface and Volume Properties
Accessible surface: 447.204	Positive charged surface: 201.357	Negative charged surface: 245.847	Volume: 236
Hydrophobic surface: 358.277	Hydrophilic surface: 88.927

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.