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PUBCHEM-ZINC05574764

 MMsINC code: MMs03311265
Type: Neutral
Formula: C11H18Cl3NO5
SMILES:   ClC(Cl)(Cl)C(O)CN(CC(OCC)=O)CC(OCC)=O
InChI:   InChI=1/C11H18Cl3NO5/c1-3-19-9(17)6-15(7-10(18)20-4-2)5-8(16)11(12,13)14/h8,16H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=112.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.626 g/mol  logS: -3.16441  SlogP: 1.5656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0649032  Sterimol/B1: 2.4455  Sterimol/B2: 3.05192  Sterimol/B3: 3.39844
  Sterimol/B4: 7.76759  Sterimol/L: 16.7413 
 
 Surface and Volume Properties
  Accessible surface: 567.211  Positive charged surface: 303.653  Negative charged surface: 263.558  Volume: 286.25
  Hydrophobic surface: 279.297  Hydrophilic surface: 287.914
 
 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


MMs03311266
PUBCHEM-ZINC05574764