MMsINC Database Search


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MMsINC code: MMs00007187

Type: Neutral
Formula: C₁₄H₁₄O₂S

SMILES:

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

InChI:

InChI=1/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.128 kcal/mol

Physical Properties
Molecular Weight: 246.33 g/mol	logS: -3.23751	SlogP: 3.3344	Reactive groups: 0

Topological Properties
Globularity: 0.0763235	Sterimol/B1: 2.09858	Sterimol/B2: 3.6182	Sterimol/B3: 3.61841
Sterimol/B4: 4.34317	Sterimol/L: 14.9139

Surface and Volume Properties
Accessible surface: 466.402	Positive charged surface: 255.024	Negative charged surface: 211.378	Volume: 241
Hydrophobic surface: 422.146	Hydrophilic surface: 44.256

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.