MMsINC Database Search


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MMsINC code: MMs01590484

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(Cl)nc2)c(cc1)C

InChI:

InChI=1/C12H10Cl2N2O2S/c1-8-2-3-9(13)6-11(8)16-19(17,18)10-4-5-12(14)15-7-10/h2-7,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1427 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -3.72889	SlogP: 3.49762	Reactive groups: 0

Topological Properties
Globularity: 0.3189	Sterimol/B1: 2.07863	Sterimol/B2: 3.87444	Sterimol/B3: 5.45218
Sterimol/B4: 7.81006	Sterimol/L: 11.4899

Surface and Volume Properties
Accessible surface: 483.812	Positive charged surface: 178.411	Negative charged surface: 305.401	Volume: 251
Hydrophobic surface: 384.121	Hydrophilic surface: 99.691

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.