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ANALYTICONDISCOVERY-ZINC03839602

 MMsINC code: MMs00026679
Type: Neutral
Formula: C11H18N2O2S
SMILES:   S(CC)C1C2N(CC1)C(=O)C(NC2=O)(C)C
InChI:   InChI=1/C11H18N2O2S/c1-4-16-7-5-6-13-8(7)9(14)12-11(2,3)10(13)15/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=80.3322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.343 g/mol  logS: -2.30265  SlogP: 0.6174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869726  Sterimol/B1: 2.93791  Sterimol/B2: 3.23551  Sterimol/B3: 3.61657
  Sterimol/B4: 5.38852  Sterimol/L: 14.0674 
 
 Surface and Volume Properties
  Accessible surface: 450.906  Positive charged surface: 311.926  Negative charged surface: 138.98  Volume: 233.875
  Hydrophobic surface: 285.096  Hydrophilic surface: 165.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.