MMsINC Database Search


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MMsINC code: MMs03178910

Type: Neutral
Formula: C₂₀H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1C(C)C)c1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C20H24N2O4S/c1-14(2)18-10-5-6-11-19(18)21-20(24)13-22(27(4,25)26)17-9-7-8-16(12-17)15(3)23/h5-12,14H,13H2,1-4H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.265 kcal/mol

Physical Properties
Molecular Weight: 388.488 g/mol	logS: -4.79805	SlogP: 3.4173	Reactive groups: 0

Topological Properties
Globularity: 0.156984	Sterimol/B1: 2.63292	Sterimol/B2: 3.55055	Sterimol/B3: 6.53147
Sterimol/B4: 8.436	Sterimol/L: 16.3466

Surface and Volume Properties
Accessible surface: 646.974	Positive charged surface: 364.501	Negative charged surface: 282.472	Volume: 366.875
Hydrophobic surface: 479.479	Hydrophilic surface: 167.495

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.