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CHEMBRIDGE-ZINC04833790

 MMsINC code: MMs00795867
Type: Neutral
Formula: C19H28N2O4S
SMILES:   s1c(C(=O)NCCC)c(C)c(C(OCC)=O)c1NC(=O)C1CCCCC1
InChI:   InChI=1/C19H28N2O4S/c1-4-11-20-17(23)15-12(3)14(19(24)25-5-2)18(26-15)21-16(22)13-9-7-6-8-10-13/h13H,4-11H2,1-3H3,(H,20,23)(H,21,22)

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Potential Energy
Epot(MMFF94)=54.2825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.509 g/mol  logS: -5.10394  SlogP: 3.89182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469403  Sterimol/B1: 3.29724  Sterimol/B2: 3.36585  Sterimol/B3: 3.7989
  Sterimol/B4: 10.4306  Sterimol/L: 17.7056 
 
 Surface and Volume Properties
  Accessible surface: 687.447  Positive charged surface: 481.439  Negative charged surface: 206.009  Volume: 366.75
  Hydrophobic surface: 550.274  Hydrophilic surface: 137.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.