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ENAMINE-ZINC03463008

 MMsINC code: MMs01458193
Type: Neutral
Formula: C15H20N2O4S
SMILES:   S(CCC(OC(C(=O)NC(=O)NCC)C)=O)c1ccccc1
InChI:   InChI=1/C15H20N2O4S/c1-3-16-15(20)17-14(19)11(2)21-13(18)9-10-22-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,16,17,19,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=25.2554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.401 g/mol  logS: -3.75189  SlogP: 1.9462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0322567  Sterimol/B1: 2.56414  Sterimol/B2: 3.51268  Sterimol/B3: 4.58574
  Sterimol/B4: 5.1214  Sterimol/L: 21.7972 
 
 Surface and Volume Properties
  Accessible surface: 617.15  Positive charged surface: 377.794  Negative charged surface: 239.356  Volume: 304.875
  Hydrophobic surface: 410.733  Hydrophilic surface: 206.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.