MMsINC Database Search


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MMsINC code: MMs01076040

Type: Neutral
Formula: C₂₆H₂₀N₂O₄S

SMILES:

S(=O)(=O)(c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C26H20N2O4S/c29-25(19-7-3-1-4-8-19)27-21-11-15-23(16-12-21)33(31,32)24-17-13-22(14-18-24)28-26(30)20-9-5-2-6-10-20/h1-18H,(H,27,29)(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.004 kcal/mol

Physical Properties
Molecular Weight: 456.522 g/mol	logS: -7.28941	SlogP: 5.024	Reactive groups: 0

Topological Properties
Globularity: 0.0469976	Sterimol/B1: 2.33489	Sterimol/B2: 3.80251	Sterimol/B3: 4.14848
Sterimol/B4: 8.17716	Sterimol/L: 23.3622

Surface and Volume Properties
Accessible surface: 740.936	Positive charged surface: 364.635	Negative charged surface: 376.302	Volume: 417.875
Hydrophobic surface: 609.345	Hydrophilic surface: 131.591

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.