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PUBCHEM-ZINC06022415

 MMsINC code: MMs03497715
Type: Neutral
Formula: C11H18N2O2S
SMILES:   S1CC2NC(=O)NC2C1CCCCC(=O)C
InChI:   InChI=1/C11H18N2O2S/c1-7(14)4-2-3-5-9-10-8(6-16-9)12-11(15)13-10/h8-10H,2-6H2,1H3,(H2,12,13,15)/t8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=37.8851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.343 g/mol  logS: -1.71983  SlogP: 1.3012  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0619223  Sterimol/B1: 2.65693  Sterimol/B2: 3.86542  Sterimol/B3: 4.34644
  Sterimol/B4: 4.37746  Sterimol/L: 14.6883 
 
 Surface and Volume Properties
  Accessible surface: 472.678  Positive charged surface: 327.066  Negative charged surface: 145.613  Volume: 230.375
  Hydrophobic surface: 282.784  Hydrophilic surface: 189.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.