MMsINC Database Search


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MMsINC code: MMs01527219

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1cc(N)ccc1Cl

InChI:

InChI=1/C12H10Cl2N2O2S/c13-9-3-1-2-4-11(9)16-19(17,18)12-7-8(15)5-6-10(12)14/h1-7,16H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0875 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -4.23618	SlogP: 3.3764	Reactive groups: 0

Topological Properties
Globularity: 0.150063	Sterimol/B1: 2.53825	Sterimol/B2: 3.48683	Sterimol/B3: 4.59802
Sterimol/B4: 6.9321	Sterimol/L: 12.155

Surface and Volume Properties
Accessible surface: 473.322	Positive charged surface: 191.193	Negative charged surface: 282.13	Volume: 250.875
Hydrophobic surface: 344.93	Hydrophilic surface: 128.392

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.