MMsINC Database Search


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MMsINC code: MMs01559944

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(N(C(C)C)c2ccccc2)cc1

InChI:

InChI=1/C19H20N2O2S2/c1-15(2)21(17-7-4-3-5-8-17)18-12-10-16(11-13-18)20-25(22,23)19-9-6-14-24-19/h3-15,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2362 kcal/mol

Physical Properties
Molecular Weight: 372.513 g/mol	logS: -5.41742	SlogP: 5.0954	Reactive groups: 0

Topological Properties
Globularity: 0.105904	Sterimol/B1: 2.494	Sterimol/B2: 2.61549	Sterimol/B3: 5.09942
Sterimol/B4: 7.23973	Sterimol/L: 15.877

Surface and Volume Properties
Accessible surface: 591.778	Positive charged surface: 300.972	Negative charged surface: 290.806	Volume: 344.25
Hydrophobic surface: 470.921	Hydrophilic surface: 120.857

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.