MMsINC Database Search


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MMsINC code: MMs02368942

Type: Neutral
Formula: C₂₆H₂₀O₂S

SMILES:

S1(=O)(=O)C(C2C(C=CC=C2)=C1c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H20O2S/c27-29(28)25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)26(29,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,24H/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.726 kcal/mol

Physical Properties
Molecular Weight: 396.51 g/mol	logS: -6.65217	SlogP: 5.8236	Reactive groups: 0

Topological Properties
Globularity: 0.267081	Sterimol/B1: 3.467	Sterimol/B2: 3.72146	Sterimol/B3: 5.98275
Sterimol/B4: 6.87798	Sterimol/L: 15.3142

Surface and Volume Properties
Accessible surface: 607.662	Positive charged surface: 315.755	Negative charged surface: 291.907	Volume: 378.875
Hydrophobic surface: 560.135	Hydrophilic surface: 47.527

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.