MMsINC Database Search


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MMsINC code: MMs02777313

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccccc1C)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

InChI=1/C19H18N2O4S2/c1-15-7-5-6-10-19(15)21-27(24,25)18-13-11-16(12-14-18)20-26(22,23)17-8-3-2-4-9-17/h2-14,20-21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9232 kcal/mol

Physical Properties
Molecular Weight: 402.495 g/mol	logS: -4.86903	SlogP: 3.59662	Reactive groups: 0

Topological Properties
Globularity: 0.141216	Sterimol/B1: 2.27272	Sterimol/B2: 4.72714	Sterimol/B3: 5.3716
Sterimol/B4: 6.13871	Sterimol/L: 15.7533

Surface and Volume Properties
Accessible surface: 614.587	Positive charged surface: 307.807	Negative charged surface: 306.78	Volume: 349
Hydrophobic surface: 459.28	Hydrophilic surface: 155.307

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.