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ENAMINE-ZINC05019733

 MMsINC code: MMs01576041
Type: Neutral
Formula: C16H24N2O3S
SMILES:   S(CC(=O)NC(=O)NCCCOCC)c1cc(ccc1C)C
InChI:   InChI=1/C16H24N2O3S/c1-4-21-9-5-8-17-16(20)18-15(19)11-22-14-10-12(2)6-7-13(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=39.6922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.445 g/mol  logS: -4.11339  SlogP: 2.64794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0076067  Sterimol/B1: 2.50863  Sterimol/B2: 2.51216  Sterimol/B3: 3.98688
  Sterimol/B4: 5.72191  Sterimol/L: 22.0937 
 
 Surface and Volume Properties
  Accessible surface: 644.267  Positive charged surface: 447.286  Negative charged surface: 196.98  Volume: 324.375
  Hydrophobic surface: 486.111  Hydrophilic surface: 158.156
 
 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.