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MMsINC code: MMs00894363

Type: Neutral
Formula: C₁₄H₂₂N₂O₅S

SMILES:

S(=O)(=O)(NC(CC)C(=O)NCCOC)c1ccc(OC)cc1

InChI:

InChI=1/C14H22N2O5S/c1-4-13(14(17)15-9-10-20-2)16-22(18,19)12-7-5-11(21-3)6-8-12/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9308 kcal/mol

Physical Properties
Molecular Weight: 330.405 g/mol	logS: -2.11743	SlogP: 0.5147	Reactive groups: 0

Topological Properties
Globularity: 0.131677	Sterimol/B1: 2.12975	Sterimol/B2: 2.45971	Sterimol/B3: 4.83803
Sterimol/B4: 9.59358	Sterimol/L: 14.1307

Surface and Volume Properties
Accessible surface: 582.368	Positive charged surface: 425.965	Negative charged surface: 156.403	Volume: 303.375
Hydrophobic surface: 450.521	Hydrophilic surface: 131.847

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.