MMsINC Database Search


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MMsINC code: MMs01465782

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(C)c1cc(ccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H15NO3S/c1-20(18,19)14-9-5-8-13(10-14)15(17)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0262 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -3.4396	SlogP: 2.2865	Reactive groups: 0

Topological Properties
Globularity: 0.0638203	Sterimol/B1: 2.85541	Sterimol/B2: 3.22428	Sterimol/B3: 4.66924
Sterimol/B4: 5.39437	Sterimol/L: 16.633

Surface and Volume Properties
Accessible surface: 525.68	Positive charged surface: 270.569	Negative charged surface: 255.111	Volume: 267
Hydrophobic surface: 410.498	Hydrophilic surface: 115.182

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.