MMsINC Database Search


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MMsINC code: MMs01670732

Type: Neutral
Formula: C₁₆H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1

InChI:

InChI=1/C16H18N2O4S2/c19-23(20,15-8-2-1-3-9-15)17-14-7-6-10-16(13-14)24(21,22)18-11-4-5-12-18/h1-3,6-10,13,17H,4-5,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8564 kcal/mol

Physical Properties
Molecular Weight: 366.462 g/mol	logS: -3.51266	SlogP: 2.2719	Reactive groups: 0

Topological Properties
Globularity: 0.142435	Sterimol/B1: 2.71454	Sterimol/B2: 3.44117	Sterimol/B3: 5.90065
Sterimol/B4: 6.72679	Sterimol/L: 15.1155

Surface and Volume Properties
Accessible surface: 572.725	Positive charged surface: 320.539	Negative charged surface: 252.186	Volume: 316.375
Hydrophobic surface: 435.424	Hydrophilic surface: 137.301

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.