MMsINC Database Search


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MMsINC code: MMs02776403

Type: Neutral
Formula: C₂₀H₁₈O₄S

SMILES:

S(=O)(=O)(c1ccc(cc1)COc1ccccc1OC)c1ccccc1

InChI:

InChI=1/C20H18O4S/c1-23-19-9-5-6-10-20(19)24-15-16-11-13-18(14-12-16)25(21,22)17-7-3-2-4-8-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.274 kcal/mol

Physical Properties
Molecular Weight: 354.426 g/mol	logS: -5.21809	SlogP: 4.3734	Reactive groups: 0

Topological Properties
Globularity: 0.0545817	Sterimol/B1: 2.53086	Sterimol/B2: 3.61801	Sterimol/B3: 3.6182
Sterimol/B4: 7.46868	Sterimol/L: 18.2127

Surface and Volume Properties
Accessible surface: 616.326	Positive charged surface: 344.609	Negative charged surface: 271.717	Volume: 332.75
Hydrophobic surface: 544.349	Hydrophilic surface: 71.977

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.