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ASINEX-ZINC04038545

 MMsINC code: MMs00297931
Type: Neutral
Formula: C11H18N2O3S
SMILES:   S1CC2NC(=O)NC2C1CCCCC(OC)=O
InChI:   InChI=1/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=27.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.342 g/mol  logS: -1.78929  SlogP: 0.8852  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0491718  Sterimol/B1: 2.96427  Sterimol/B2: 3.7923  Sterimol/B3: 4.23298
  Sterimol/B4: 4.37103  Sterimol/L: 15.828 
 
 Surface and Volume Properties
  Accessible surface: 481.884  Positive charged surface: 362.561  Negative charged surface: 119.324  Volume: 237.875
  Hydrophobic surface: 307.334  Hydrophilic surface: 174.55
 
 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.