MMsINC Database Search


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MMsINC code: MMs03111853

Type: Neutral
Formula: C₁₉H₂₆N₂O₄S₂

SMILES:

S(=O)(=O)(N(CCC)CCC)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C19H26N2O4S2/c1-3-14-21(15-4-2)27(24,25)19-12-10-18(11-13-19)20-26(22,23)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4606 kcal/mol

Physical Properties
Molecular Weight: 410.559 g/mol	logS: -3.96228	SlogP: 3.7056	Reactive groups: 0

Topological Properties
Globularity: 0.0631528	Sterimol/B1: 2.22096	Sterimol/B2: 4.06789	Sterimol/B3: 4.85474
Sterimol/B4: 8.39388	Sterimol/L: 18.8582

Surface and Volume Properties
Accessible surface: 671.94	Positive charged surface: 397.706	Negative charged surface: 274.234	Volume: 380.5
Hydrophobic surface: 498.415	Hydrophilic surface: 173.525

Pharmacophoric Properties
Hydrogen bond donors: 1	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.