MMsINC Database Search


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MMsINC code: MMs02181428

Type: Neutral
Formula: C₁₂H₁₀O₂S

SMILES:

S1(=O)(=O)Cc2c3c(C1)cccc3ccc2

InChI:

InChI=1/C12H10O2S/c13-15(14)7-10-5-1-3-9-4-2-6-11(8-15)12(9)10/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0885 kcal/mol

Physical Properties
Molecular Weight: 218.276 g/mol	logS: -3.46989	SlogP: 2.801	Reactive groups: 0

Topological Properties
Globularity: 0.0731497	Sterimol/B1: 2.44027	Sterimol/B2: 2.79499	Sterimol/B3: 3.76808
Sterimol/B4: 7.22482	Sterimol/L: 10.8326

Surface and Volume Properties
Accessible surface: 382.083	Positive charged surface: 190.006	Negative charged surface: 182.678	Volume: 191.375
Hydrophobic surface: 308.527	Hydrophilic surface: 73.556

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.