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ENAMINE-ZINC03167903

 MMsINC code: MMs01293257
Type: Neutral
Formula: C11H24Cl3N3O3+2
SMILES:   ClC(Cl)(Cl)C(OCC[NH+](C)C)NC(OCC[NH+](C)C)=O
InChI:   InChI=1/C11H22Cl3N3O3/c1-16(2)5-7-19-9(11(12,13)14)15-10(18)20-8-6-17(3)4/h9H,5-8H2,1-4H3,(H,15,18)/p+2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=22.1117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.69 g/mol  logS: -2.01806  SlogP: -0.8656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749948  Sterimol/B1: 2.63338  Sterimol/B2: 3.8309  Sterimol/B3: 4.26428
  Sterimol/B4: 7.65212  Sterimol/L: 15.7361 
 
 Surface and Volume Properties
  Accessible surface: 576.284  Positive charged surface: 419.968  Negative charged surface: 156.316  Volume: 317.5
  Hydrophobic surface: 315.878  Hydrophilic surface: 260.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs01293258
ENAMINE-ZINC03167903