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PUBCHEM-ZINC03117201

 MMsINC code: MMs02995980
Type: Neutral
Formula: C11H25N3O5S
SMILES:   S(O)(=O)(=O)N(CC(O)CNCCN1CCOCC1)CC
InChI:   InChI=1/C11H25N3O5S/c1-2-14(20(16,17)18)10-11(15)9-12-3-4-13-5-7-19-8-6-13/h11-12,15H,2-10H2,1H3,(H,16,17,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=30.7286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.403 g/mol  logS: 0.53506  SlogP: -2.1719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456078  Sterimol/B1: 2.25502  Sterimol/B2: 3.20225  Sterimol/B3: 3.43199
  Sterimol/B4: 6.18205  Sterimol/L: 17.0375 
 
 Surface and Volume Properties
  Accessible surface: 559.658  Positive charged surface: 432.236  Negative charged surface: 127.422  Volume: 284.625
  Hydrophobic surface: 367.82  Hydrophilic surface: 191.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  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.