MMsINC Database Search


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MMsINC code: MMs02523081

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1ccc(NS(=O)(=O)C)cc1

InChI:

InChI=1/C15H18N2O4S2/c1-22(18,19)17-14-7-9-15(10-8-14)23(20,21)16-12-11-13-5-3-2-4-6-13/h2-10,16-17H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9286 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -2.89021	SlogP: 1.57907	Reactive groups: 0

Topological Properties
Globularity: 0.070314	Sterimol/B1: 3.59894	Sterimol/B2: 3.79135	Sterimol/B3: 4.43385
Sterimol/B4: 5.99079	Sterimol/L: 16.5954

Surface and Volume Properties
Accessible surface: 586.652	Positive charged surface: 303.517	Negative charged surface: 283.136	Volume: 303.875
Hydrophobic surface: 409.193	Hydrophilic surface: 177.459

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.