MMsINC Database Search


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MMsINC code: MMs00279780

Type: Neutral
Formula: C₂₀H₂₄N₂O₄S₂

SMILES:

S(CCOC)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1

InChI:

InChI=1/C20H24N2O4S2/c1-26-14-15-27-19-7-3-2-6-18(19)20(23)21-16-8-10-17(11-9-16)28(24,25)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7394 kcal/mol

Physical Properties
Molecular Weight: 420.554 g/mol	logS: -4.98485	SlogP: 3.4619	Reactive groups: 0

Topological Properties
Globularity: 0.0440587	Sterimol/B1: 2.11578	Sterimol/B2: 4.32627	Sterimol/B3: 4.52661
Sterimol/B4: 10.3822	Sterimol/L: 19.939

Surface and Volume Properties
Accessible surface: 701.271	Positive charged surface: 465.775	Negative charged surface: 235.495	Volume: 384.5
Hydrophobic surface: 582.874	Hydrophilic surface: 118.397

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.