MMsINC Database Search


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MMsINC code: MMs02779793

Type: Neutral
Formula: C₂₀H₁₉NO₂S₂

SMILES:

S(Cc1cc(C)c(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C20H19NO2S2/c1-16-14-17(15-24-18-8-4-2-5-9-18)12-13-20(16)21-25(22,23)19-10-6-3-7-11-19/h2-14,21H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1774 kcal/mol

Physical Properties
Molecular Weight: 369.509 g/mol	logS: -5.99649	SlogP: 5.35452	Reactive groups: 0

Topological Properties
Globularity: 0.0906516	Sterimol/B1: 2.37533	Sterimol/B2: 2.5735	Sterimol/B3: 6.34613
Sterimol/B4: 8.28353	Sterimol/L: 17.2095

Surface and Volume Properties
Accessible surface: 612.265	Positive charged surface: 313.014	Negative charged surface: 299.251	Volume: 343
Hydrophobic surface: 506.882	Hydrophilic surface: 105.383

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.