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NCID-ZINC04994331

 MMsINC code: MMs02425579
Type: Neutral
Formula: C16H20Cl3NO10
SMILES:   ClC(Cl)(Cl)C(=O)NC1C(OC(=O)C)C(OC(=O)C)C(OC1OC(=O)C)COC(=O)C
InChI:   InChI=1/C16H20Cl3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11-,12-,13+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=95.2391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.692 g/mol  logS: -4.0052  SlogP: 0.9758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289999  Sterimol/B1: 2.36067  Sterimol/B2: 4.66882  Sterimol/B3: 5.0501
  Sterimol/B4: 8.91233  Sterimol/L: 16.0839 
 
 Surface and Volume Properties
  Accessible surface: 696.483  Positive charged surface: 313.57  Negative charged surface: 382.912  Volume: 387.375
  Hydrophobic surface: 379.242  Hydrophilic surface: 317.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.