MMsINC Database Search


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MMsINC code: MMs02942316

Type: Neutral
Formula: C₁₉H₁₇NO₂S₂

SMILES:

S(c1ccccc1NS(=O)(=O)c1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C19H17NO2S2/c1-15-11-13-17(14-12-15)24(21,22)20-18-9-5-6-10-19(18)23-16-7-3-2-4-8-16/h2-14,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1583 kcal/mol

Physical Properties
Molecular Weight: 355.482 g/mol	logS: -6.3659	SlogP: 4.94702	Reactive groups: 0

Topological Properties
Globularity: 0.167958	Sterimol/B1: 2.36836	Sterimol/B2: 3.72675	Sterimol/B3: 5.70269
Sterimol/B4: 7.83016	Sterimol/L: 15.2216

Surface and Volume Properties
Accessible surface: 585.249	Positive charged surface: 301.418	Negative charged surface: 283.831	Volume: 325.75
Hydrophobic surface: 485.694	Hydrophilic surface: 99.555

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.