MMsINC Database Search


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MMsINC code: MMs02771439

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-16-6-10-18(11-7-16)26(22,23)20-17-8-12-19(13-9-17)27(24,25)21-14-4-2-3-5-15-21/h6-13,20H,2-5,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.649 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.39012	SlogP: 3.36052	Reactive groups: 0

Topological Properties
Globularity: 0.0676014	Sterimol/B1: 2.06273	Sterimol/B2: 3.55327	Sterimol/B3: 3.92292
Sterimol/B4: 8.11699	Sterimol/L: 17.3451

Surface and Volume Properties
Accessible surface: 633.587	Positive charged surface: 378.036	Negative charged surface: 255.55	Volume: 367.875
Hydrophobic surface: 503.318	Hydrophilic surface: 130.269

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.