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PUBCHEM-ZINC06158646

 MMsINC code: MMs03569741
Type: Neutral
Formula: C11H18N2O3S
SMILES:   S1CC2NC(=O)NC2(O)C1CCCCC(=O)C
InChI:   InChI=1/C11H18N2O3S/c1-7(14)4-2-3-5-9-11(16)8(6-17-9)12-10(15)13-11/h8-9,16H,2-6H2,1H3,(H2,12,13,15)/t8-,9-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=37.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.342 g/mol  logS: -1.57325  SlogP: 0.6212  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0493229  Sterimol/B1: 2.93634  Sterimol/B2: 3.35276  Sterimol/B3: 4.15776
  Sterimol/B4: 4.20691  Sterimol/L: 15.5698 
 
 Surface and Volume Properties
  Accessible surface: 477.23  Positive charged surface: 323.211  Negative charged surface: 154.018  Volume: 236.75
  Hydrophobic surface: 268.032  Hydrophilic surface: 209.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.