MMsINC Database Search


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MMsINC code: MMs00004893

Type: Neutral
Formula: C₇H₇Cl₂NO₂S

SMILES:

Clc1cc(S(=O)(=O)C)cc(Cl)c1N

InChI:

InChI=1/C7H7Cl2NO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.258 kcal/mol

Physical Properties
Molecular Weight: 240.11 g/mol	logS: -2.71503	SlogP: 1.9791	Reactive groups: 0

Topological Properties
Globularity: 0.0904668	Sterimol/B1: 2.03074	Sterimol/B2: 4.11792	Sterimol/B3: 4.75087
Sterimol/B4: 4.75242	Sterimol/L: 11.1073

Surface and Volume Properties
Accessible surface: 378.408	Positive charged surface: 136.014	Negative charged surface: 242.395	Volume: 179.75
Hydrophobic surface: 266.022	Hydrophilic surface: 112.386

Pharmacophoric Properties
Hydrogen bond donors: 1	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.