MMsINC Database Search


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MMsINC code: MMs02369028

Type: Neutral
Formula: C₁₀H₁₂O₄S₂

SMILES:

S(=O)(=O)(C(S(=O)(=O)C)=Cc1ccccc1)C

InChI:

InChI=1/C10H12O4S2/c1-15(11,12)10(16(2,13)14)8-9-6-4-3-5-7-9/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0407 kcal/mol

Physical Properties
Molecular Weight: 260.334 g/mol	logS: -2.20811	SlogP: 1.0742	Reactive groups: 0

Topological Properties
Globularity: 0.110307	Sterimol/B1: 2.29966	Sterimol/B2: 3.61824	Sterimol/B3: 3.7491
Sterimol/B4: 6.76141	Sterimol/L: 12.5737

Surface and Volume Properties
Accessible surface: 415.598	Positive charged surface: 200.359	Negative charged surface: 215.239	Volume: 215.125
Hydrophobic surface: 316.98	Hydrophilic surface: 98.618

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.