MMsINC Database Search


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MMsINC code: MMs01510495

Type: Neutral
Formula: C₁₇H₂₂N₂O₄S₂

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(S(=O)(=O)N(CC)CC)cc1

InChI:

InChI=1/C17H22N2O4S2/c1-4-19(5-2)25(22,23)17-13-11-16(12-14-17)24(20,21)18(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7965 kcal/mol

Physical Properties
Molecular Weight: 382.505 g/mol	logS: -3.69028	SlogP: 2.5422	Reactive groups: 0

Topological Properties
Globularity: 0.0765996	Sterimol/B1: 2.74412	Sterimol/B2: 3.13115	Sterimol/B3: 5.15321
Sterimol/B4: 6.46658	Sterimol/L: 16.0434

Surface and Volume Properties
Accessible surface: 601.167	Positive charged surface: 351.752	Negative charged surface: 249.415	Volume: 343.875
Hydrophobic surface: 459.95	Hydrophilic surface: 141.217

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.