MMsINC Database Search


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MMsINC code: MMs01644253

Type: Neutral
Formula: C₁₆H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N(C)C)ccc1)c1ccc(cc1C)C

InChI:

InChI=1/C16H20N2O4S2/c1-12-8-9-16(13(2)10-12)23(19,20)17-14-6-5-7-15(11-14)24(21,22)18(3)4/h5-11,17H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5789 kcal/mol

Physical Properties
Molecular Weight: 368.478 g/mol	logS: -3.59467	SlogP: 2.35454	Reactive groups: 0

Topological Properties
Globularity: 0.216038	Sterimol/B1: 2.25366	Sterimol/B2: 4.51352	Sterimol/B3: 5.00213
Sterimol/B4: 7.72001	Sterimol/L: 15.0152

Surface and Volume Properties
Accessible surface: 576.479	Positive charged surface: 350.019	Negative charged surface: 226.461	Volume: 325
Hydrophobic surface: 447.911	Hydrophilic surface: 128.568

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.