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ENAMINE-ZINC06787008

 MMsINC code: MMs01696950
Type: Neutral
Formula: C16H22ClNO6S
SMILES:   ClCCCC(=O)Nc1sc(C(OCCOC)=O)c(C)c1C(OCC)=O
InChI:   InChI=1/C16H22ClNO6S/c1-4-23-15(20)12-10(2)13(16(21)24-9-8-22-3)25-14(12)18-11(19)6-5-7-17/h4-9H2,1-3H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=73.7935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.872 g/mol  logS: -3.94765  SlogP: 2.99392  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0398453  Sterimol/B1: 2.11386  Sterimol/B2: 2.1702  Sterimol/B3: 4.83984
  Sterimol/B4: 12.9202  Sterimol/L: 16.6226 
 
 Surface and Volume Properties
  Accessible surface: 697.6  Positive charged surface: 462.187  Negative charged surface: 235.413  Volume: 345.875
  Hydrophobic surface: 500.015  Hydrophilic surface: 197.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.