MMsINC Database Search


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MMsINC code: MMs01387873

Type: Neutral
Formula: C₂₂H₁₈N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)Nc2ccccc2Cc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C22H18N2O4S/c25-21(15-24-22(26)18-11-5-7-13-20(18)29(24,27)28)23-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5793 kcal/mol

Physical Properties
Molecular Weight: 406.462 g/mol	logS: -5.62583	SlogP: 3.06057	Reactive groups: 0

Topological Properties
Globularity: 0.092258	Sterimol/B1: 2.45973	Sterimol/B2: 3.0241	Sterimol/B3: 5.11372
Sterimol/B4: 9.01498	Sterimol/L: 16.7082

Surface and Volume Properties
Accessible surface: 635.512	Positive charged surface: 318.668	Negative charged surface: 316.844	Volume: 363.375
Hydrophobic surface: 516.468	Hydrophilic surface: 119.044

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.