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MMsINC code: MMs01294438

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccccc1N

InChI:

InChI=1/C10H10N2O2S2/c11-8-4-1-2-5-9(8)12-16(13,14)10-6-3-7-15-10/h1-7,12H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0455 kcal/mol

Physical Properties
Molecular Weight: 254.334 g/mol	logS: -2.73261	SlogP: 2.1311	Reactive groups: 0

Topological Properties
Globularity: 0.309812	Sterimol/B1: 2.7674	Sterimol/B2: 3.07089	Sterimol/B3: 4.951
Sterimol/B4: 5.2621	Sterimol/L: 10.9171

Surface and Volume Properties
Accessible surface: 421.858	Positive charged surface: 204.873	Negative charged surface: 216.985	Volume: 213.375
Hydrophobic surface: 293.306	Hydrophilic surface: 128.552

Pharmacophoric Properties
Hydrogen bond donors: 2	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.