MMsINC Database Search


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MMsINC code: MMs01626245

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ccc1

InChI:

InChI=1/C14H15ClN2O4S2/c1-17(2)23(20,21)13-8-6-12(7-9-13)16-22(18,19)14-5-3-4-11(15)10-14/h3-10,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4974 kcal/mol

Physical Properties
Molecular Weight: 374.869 g/mol	logS: -3.69457	SlogP: 2.3911	Reactive groups: 0

Topological Properties
Globularity: 0.132051	Sterimol/B1: 2.52274	Sterimol/B2: 4.57882	Sterimol/B3: 4.77326
Sterimol/B4: 5.25391	Sterimol/L: 15.7811

Surface and Volume Properties
Accessible surface: 560.357	Positive charged surface: 290.63	Negative charged surface: 269.727	Volume: 304.5
Hydrophobic surface: 423.964	Hydrophilic surface: 136.393

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.