MMsINC Database Search


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MMsINC code: MMs01590175

Type: Neutral
Formula: C₁₃H₁₃ClN₂O₄S₂

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC)cc1

InChI:

InChI=1/C13H13ClN2O4S2/c1-15-21(17,18)11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14/h2-9,15-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.3272 kcal/mol

Physical Properties
Molecular Weight: 360.842 g/mol	logS: -3.61899	SlogP: 2.0489	Reactive groups: 0

Topological Properties
Globularity: 0.152837	Sterimol/B1: 3.2557	Sterimol/B2: 4.50646	Sterimol/B3: 4.61485
Sterimol/B4: 4.77826	Sterimol/L: 14.0089

Surface and Volume Properties
Accessible surface: 522.675	Positive charged surface: 258.393	Negative charged surface: 264.281	Volume: 284.625
Hydrophobic surface: 359.847	Hydrophilic surface: 162.828

Pharmacophoric Properties
Hydrogen bond donors: 2	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.