MMsINC Database Search


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MMsINC code: MMs02376569

Type: Neutral
Formula: C₁₀H₁₄O₄S₂

SMILES:

S(=O)(=O)(Cc1ccccc1)CS(=O)(=O)CC

InChI:

InChI=1/C10H14O4S2/c1-2-15(11,12)9-16(13,14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.626 kcal/mol

Physical Properties
Molecular Weight: 262.35 g/mol	logS: -1.61349	SlogP: 1.26	Reactive groups: 0

Topological Properties
Globularity: 0.0734089	Sterimol/B1: 2.69556	Sterimol/B2: 3.41258	Sterimol/B3: 3.42419
Sterimol/B4: 5.91001	Sterimol/L: 13.1905

Surface and Volume Properties
Accessible surface: 439.786	Positive charged surface: 234.67	Negative charged surface: 205.116	Volume: 219.875
Hydrophobic surface: 316.556	Hydrophilic surface: 123.23

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.