MMsINC Database Search


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MMsINC code: MMs03346032

Type: Neutral
Formula: C₂₂H₁₇NO₂S

SMILES:

S(=O)(=O)(Nc1ccccc1-c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C22H17NO2S/c24-26(25,20-15-14-17-8-4-5-11-19(17)16-20)23-22-13-7-6-12-21(22)18-9-2-1-3-10-18/h1-16,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2421 kcal/mol

Physical Properties
Molecular Weight: 359.449 g/mol	logS: -7.35098	SlogP: 5.3076	Reactive groups: 0

Topological Properties
Globularity: 0.253935	Sterimol/B1: 2.5931	Sterimol/B2: 3.31316	Sterimol/B3: 6.25127
Sterimol/B4: 8.07763	Sterimol/L: 14.1256

Surface and Volume Properties
Accessible surface: 582.816	Positive charged surface: 287.522	Negative charged surface: 283.086	Volume: 335.875
Hydrophobic surface: 516.869	Hydrophilic surface: 65.947

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.