MMsINC Database Search


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MMsINC code: MMs02424108

Type: Neutral
Formula: C₂₆H₂₀O₂S

SMILES:

S(=O)(=O)(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H20O2S/c27-29(28,24-19-11-4-12-20-24)26(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.806 kcal/mol

Physical Properties
Molecular Weight: 396.51 g/mol	logS: -7.41023	SlogP: 5.89439	Reactive groups: 0

Topological Properties
Globularity: 0.260148	Sterimol/B1: 3.38096	Sterimol/B2: 5.63795	Sterimol/B3: 6.63908
Sterimol/B4: 7.47624	Sterimol/L: 14.2877

Surface and Volume Properties
Accessible surface: 613.355	Positive charged surface: 339.061	Negative charged surface: 274.294	Volume: 384.875
Hydrophobic surface: 577.867	Hydrophilic surface: 35.488

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.