MMsINC Database Search


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MMsINC code: MMs02993691

Type: Neutral
Formula: C₁₇H₁₉Cl₂NO₂S

SMILES:

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

InChI:

InChI=1/C17H19Cl2NO2S/c1-17(2,3)20(12-13-7-5-4-6-8-13)23(21,22)16-11-14(18)9-10-15(16)19/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.825 kcal/mol

Physical Properties
Molecular Weight: 372.316 g/mol	logS: -5.51655	SlogP: 5.2492	Reactive groups: 0

Topological Properties
Globularity: 0.148805	Sterimol/B1: 2.45416	Sterimol/B2: 2.53125	Sterimol/B3: 4.9535
Sterimol/B4: 8.49795	Sterimol/L: 14.1444

Surface and Volume Properties
Accessible surface: 531.493	Positive charged surface: 244.304	Negative charged surface: 287.189	Volume: 322.875
Hydrophobic surface: 453.2	Hydrophilic surface: 78.293

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.