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ENAMINE-ZINC03499595

 MMsINC code: MMs01476047
Type: Neutral
Formula: C15H20N2O4S
SMILES:   S(CC(OCC(=O)NC(=O)NCC(C)C)=O)c1ccccc1
InChI:   InChI=1/C15H20N2O4S/c1-11(2)8-16-15(20)17-13(18)9-21-14(19)10-22-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=38.6506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.401 g/mol  logS: -3.9463  SlogP: 1.8037  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00976692  Sterimol/B1: 2.35127  Sterimol/B2: 3.24538  Sterimol/B3: 3.65385
  Sterimol/B4: 4.88868  Sterimol/L: 22.1171 
 
 Surface and Volume Properties
  Accessible surface: 620.094  Positive charged surface: 385.902  Negative charged surface: 234.191  Volume: 306.375
  Hydrophobic surface: 402.096  Hydrophilic surface: 217.998
 
 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.