MMsINC Database Search


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MMsINC code: MMs02197908

Type: Neutral
Formula: C₂₀H₁₆O₄S₂

SMILES:

S(=O)(=O)(c1cc(S(=O)(=O)\C=C\c2ccccc2)ccc1)c1ccccc1

InChI:

InChI=1/C20H16O4S2/c21-25(22,15-14-17-8-3-1-4-9-17)19-12-7-13-20(16-19)26(23,24)18-10-5-2-6-11-18/h1-16H/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6038 kcal/mol

Physical Properties
Molecular Weight: 384.476 g/mol	logS: -5.53059	SlogP: 3.964	Reactive groups: 0

Topological Properties
Globularity: 0.0758714	Sterimol/B1: 3.55863	Sterimol/B2: 3.81635	Sterimol/B3: 5.99853
Sterimol/B4: 6.34489	Sterimol/L: 18.1592

Surface and Volume Properties
Accessible surface: 630.275	Positive charged surface: 270.878	Negative charged surface: 359.397	Volume: 341
Hydrophobic surface: 512.879	Hydrophilic surface: 117.396

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.