MMsINC Database Search


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MMsINC code: MMs03638124

Type: Neutral
Formula: C₁₀H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(NCc1cc(ccc1)CNS(=O)(=O)C)C

InChI:

InChI=1/C10H16N2O4S2/c1-17(13,14)11-7-9-4-3-5-10(6-9)8-12-18(2,15)16/h3-6,11-12H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-12.9903 kcal/mol

Physical Properties
Molecular Weight: 292.38 g/mol	logS: -0.94892	SlogP: 0.3178	Reactive groups: 0

Topological Properties
Globularity: 0.0540773	Sterimol/B1: 3.54605	Sterimol/B2: 3.66886	Sterimol/B3: 4.25226
Sterimol/B4: 6.05975	Sterimol/L: 16.0058

Surface and Volume Properties
Accessible surface: 508.677	Positive charged surface: 268.888	Negative charged surface: 239.789	Volume: 250.625
Hydrophobic surface: 316.132	Hydrophilic surface: 192.545

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.