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MMsINC code: MMs01973164

Type: Neutral
Formula: C₁₃H₁₆N₂O₂S

SMILES:

S1CC(N(C=O)C1(C)C)C(=O)Nc1ccccc1

InChI:

InChI=1/C13H16N2O2S/c1-13(2)15(9-16)11(8-18-13)12(17)14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6059 kcal/mol

Physical Properties
Molecular Weight: 264.349 g/mol	logS: -3.40093	SlogP: 1.935	Reactive groups: 0

Topological Properties
Globularity: 0.109847	Sterimol/B1: 2.52293	Sterimol/B2: 3.70218	Sterimol/B3: 4.36632
Sterimol/B4: 5.21561	Sterimol/L: 14.4522

Surface and Volume Properties
Accessible surface: 472.197	Positive charged surface: 283.917	Negative charged surface: 188.28	Volume: 249.5
Hydrophobic surface: 335.848	Hydrophilic surface: 136.349

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.