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ENAMINE-ZINC04562924

 MMsINC code: MMs01547404
Type: Neutral
Formula: C11H14ClNO3S
SMILES:   Clc1sc(cc1)C(OCC(=O)NC(C)(C)C)=O
InChI:   InChI=1/C11H14ClNO3S/c1-11(2,3)13-9(14)6-16-10(15)7-4-5-8(12)17-7/h4-5H,6H2,1-3H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=44.5464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.756 g/mol  logS: -3.77303  SlogP: 2.473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452239  Sterimol/B1: 2.3753  Sterimol/B2: 3.87798  Sterimol/B3: 4.87393
  Sterimol/B4: 4.92978  Sterimol/L: 15.8106 
 
 Surface and Volume Properties
  Accessible surface: 496.126  Positive charged surface: 245.733  Negative charged surface: 250.392  Volume: 242.75
  Hydrophobic surface: 369.564  Hydrophilic surface: 126.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.