MMsINC Database Search


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MMsINC code: MMs02365783

Type: Neutral
Formula: C₁₀H₁₄O₄S₂

SMILES:

S(=O)(=O)(CS(=O)(=O)CC)c1ccc(cc1)C

InChI:

InChI=1/C10H14O4S2/c1-3-15(11,12)8-16(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.5847 kcal/mol

Physical Properties
Molecular Weight: 262.35 g/mol	logS: -2.14337	SlogP: 1.16092	Reactive groups: 0

Topological Properties
Globularity: 0.0947983	Sterimol/B1: 2.17486	Sterimol/B2: 3.66516	Sterimol/B3: 4.15475
Sterimol/B4: 6.66529	Sterimol/L: 12.3821

Surface and Volume Properties
Accessible surface: 434.123	Positive charged surface: 233.323	Negative charged surface: 200.8	Volume: 220.125
Hydrophobic surface: 310.759	Hydrophilic surface: 123.364

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.