MMsINC Database Search


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MMsINC code: MMs00829316

Type: Neutral
Formula: C₁₄H₁₃Cl₂NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C14H13Cl2NO2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)14-9-12(15)7-8-13(14)16/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7195 kcal/mol

Physical Properties
Molecular Weight: 330.235 g/mol	logS: -4.53492	SlogP: 4.0805	Reactive groups: 0

Topological Properties
Globularity: 0.06661	Sterimol/B1: 2.27364	Sterimol/B2: 3.63226	Sterimol/B3: 3.89661
Sterimol/B4: 7.29527	Sterimol/L: 14.8347

Surface and Volume Properties
Accessible surface: 500.011	Positive charged surface: 225.591	Negative charged surface: 274.419	Volume: 277
Hydrophobic surface: 450.222	Hydrophilic surface: 49.789

Pharmacophoric Properties
Hydrogen bond donors: 0	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.