MMsINC Database Search


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MMsINC code: MMs00277049

Type: Neutral
Formula: C₁₈H₂₂N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C18H22N2O4S2/c21-25(22,15-16-7-3-1-4-8-16)19-17-9-11-18(12-10-17)26(23,24)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.517 kcal/mol

Physical Properties
Molecular Weight: 394.516 g/mol	logS: -3.65847	SlogP: 3.0695	Reactive groups: 0

Topological Properties
Globularity: 0.0598467	Sterimol/B1: 3.31222	Sterimol/B2: 3.36756	Sterimol/B3: 4.67661
Sterimol/B4: 4.90394	Sterimol/L: 19.6068

Surface and Volume Properties
Accessible surface: 631.105	Positive charged surface: 374.597	Negative charged surface: 256.508	Volume: 351.75
Hydrophobic surface: 499.99	Hydrophilic surface: 131.115

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.