MMsINC Database Search


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MMsINC code: MMs03681882

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S₂

SMILES:

S(C)c1ccc(NS(=O)(=O)c2c3c(ccc2)c(N(C)C)ccc3)cc1

InChI:

InChI=1/C19H20N2O2S2/c1-21(2)18-8-4-7-17-16(18)6-5-9-19(17)25(22,23)20-14-10-12-15(24-3)13-11-14/h4-13,20H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.751 kcal/mol

Physical Properties
Molecular Weight: 372.513 g/mol	logS: -5.87341	SlogP: 4.4285	Reactive groups: 0

Topological Properties
Globularity: 0.166104	Sterimol/B1: 3.73795	Sterimol/B2: 4.4293	Sterimol/B3: 4.91029
Sterimol/B4: 6.52474	Sterimol/L: 15.8731

Surface and Volume Properties
Accessible surface: 596.454	Positive charged surface: 355.41	Negative charged surface: 235.707	Volume: 343.25
Hydrophobic surface: 482.826	Hydrophilic surface: 113.628

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.