MMsINC Database Search


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MMsINC code: MMs01511524

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(ccc1NS(=O)(=O)c1ccc(Cl)nc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0461 kcal/mol

Physical Properties
Molecular Weight: 317.196 g/mol	logS: -4.04234	SlogP: 3.49762	Reactive groups: 0

Topological Properties
Globularity: 0.194685	Sterimol/B1: 4.07942	Sterimol/B2: 4.67895	Sterimol/B3: 4.75414
Sterimol/B4: 5.80365	Sterimol/L: 12.5192

Surface and Volume Properties
Accessible surface: 485.585	Positive charged surface: 188.868	Negative charged surface: 296.717	Volume: 254.5
Hydrophobic surface: 385.699	Hydrophilic surface: 99.886

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.