MMsINC Database Search


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MMsINC code: MMs00221087

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccccc2)CC)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-2-20(16-17-8-4-3-5-9-17)26(22,23)18-10-12-19(13-11-18)27(24,25)21-14-6-7-15-21/h3-5,8-13H,2,6-7,14-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.3499 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -3.85949	SlogP: 2.9483	Reactive groups: 0

Topological Properties
Globularity: 0.0537764	Sterimol/B1: 2.50858	Sterimol/B2: 4.34133	Sterimol/B3: 4.45175
Sterimol/B4: 7.95186	Sterimol/L: 18.7926

Surface and Volume Properties
Accessible surface: 638.485	Positive charged surface: 377.12	Negative charged surface: 261.365	Volume: 370.375
Hydrophobic surface: 509.502	Hydrophilic surface: 128.983

Pharmacophoric Properties
Hydrogen bond donors: 0	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.