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CHEMDIV-ZINC06893658

 MMsINC code: MMs01055261
Type: Neutral
Formula: C11H18N2O4S
SMILES:   S(=O)(=O)(NC(CC)(C)C)c1cc([nH]c1)C(OC)=O
InChI:   InChI=1/C11H18N2O4S/c1-5-11(2,3)13-18(15,16)8-6-9(12-7-8)10(14)17-4/h6-7,12-13H,5H2,1-4H3

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Potential Energy
Epot(MMFF94)=54.2137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.341 g/mol  logS: -1.38413  SlogP: 1.2682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114719  Sterimol/B1: 2.00343  Sterimol/B2: 2.7276  Sterimol/B3: 4.4675
  Sterimol/B4: 7.4072  Sterimol/L: 14.0812 
 
 Surface and Volume Properties
  Accessible surface: 474.418  Positive charged surface: 306.377  Negative charged surface: 168.041  Volume: 244.125
  Hydrophobic surface: 263.264  Hydrophilic surface: 211.154
 
 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.