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MMsINC code: MMs01557450

Type: Neutral
Formula: C₁₅H₂₀N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)N(C(C)C)C(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C15H20N2O4S/c1-10(2)17(11(3)4)14(18)9-16-15(19)12-7-5-6-8-13(12)22(16,20)21/h5-8,10-11H,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4205 kcal/mol

Physical Properties
Molecular Weight: 324.401 g/mol	logS: -3.20189	SlogP: 1.4765	Reactive groups: 0

Topological Properties
Globularity: 0.136824	Sterimol/B1: 2.46955	Sterimol/B2: 3.6703	Sterimol/B3: 4.78078
Sterimol/B4: 6.54972	Sterimol/L: 14.8847

Surface and Volume Properties
Accessible surface: 521.875	Positive charged surface: 282.65	Negative charged surface: 239.225	Volume: 292.75
Hydrophobic surface: 339.507	Hydrophilic surface: 182.368

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.