MMsINC Database Search


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MMsINC code: MMs02049815

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCCC1)c1ccc(N2S(=O)(=O)CCCC2)cc1

InChI:

InChI=1/C16H24N2O4S2/c19-23(20)14-6-5-13-18(23)15-7-9-16(10-8-15)24(21,22)17-11-3-1-2-4-12-17/h7-10H,1-6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2558 kcal/mol

Physical Properties
Molecular Weight: 372.51 g/mol	logS: -2.7203	SlogP: 2.1813	Reactive groups: 0

Topological Properties
Globularity: 0.0717924	Sterimol/B1: 2.77939	Sterimol/B2: 3.10507	Sterimol/B3: 4.72038
Sterimol/B4: 5.34524	Sterimol/L: 16.5947

Surface and Volume Properties
Accessible surface: 564.133	Positive charged surface: 356.238	Negative charged surface: 207.895	Volume: 325
Hydrophobic surface: 460.933	Hydrophilic surface: 103.2

Pharmacophoric Properties
Hydrogen bond donors: 0	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.