MMsINC Database Search


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MMsINC code: MMs00122731

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H15NO3S/c1-11-3-7-13(8-4-11)15(17)16-20(18,19)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.6637 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -4.5258	SlogP: 2.42214	Reactive groups: 0

Topological Properties
Globularity: 0.0945576	Sterimol/B1: 3.00782	Sterimol/B2: 3.26871	Sterimol/B3: 4.73566
Sterimol/B4: 6.37552	Sterimol/L: 15.9408

Surface and Volume Properties
Accessible surface: 513.903	Positive charged surface: 262.415	Negative charged surface: 251.488	Volume: 266.625
Hydrophobic surface: 419.006	Hydrophilic surface: 94.897

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.