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IFLAB-ZINC03866504

 MMsINC code: MMs02005960
Type: Neutral
Formula: C10H20N2O3S
SMILES:   S1(=O)(=O)CC(N(C(=O)CNCCC)C)CC1
InChI:   InChI=1/C10H20N2O3S/c1-3-5-11-7-10(13)12(2)9-4-6-16(14,15)8-9/h9,11H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=39.1657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.347 g/mol  logS: -0.41482  SlogP: -0.3685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606  Sterimol/B1: 3.38678  Sterimol/B2: 3.45409  Sterimol/B3: 3.69614
  Sterimol/B4: 3.71353  Sterimol/L: 15.9325 
 
 Surface and Volume Properties
  Accessible surface: 483.306  Positive charged surface: 332.095  Negative charged surface: 151.211  Volume: 234.5
  Hydrophobic surface: 336.193  Hydrophilic surface: 147.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.