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NCID-ZINC01634821

 MMsINC code: MMs02278762
Type: Neutral
Formula: C11H18Cl3NO5
SMILES:   ClC(Cl)(Cl)COC(=O)NC(C(OC(C)(C)C)C)C(O)=O
InChI:   InChI=1/C11H18Cl3NO5/c1-6(20-10(2,3)4)7(8(16)17)15-9(18)19-5-11(12,13)14/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=50.0124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.626 g/mol  logS: -3.69501  SlogP: 3.1595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072423  Sterimol/B1: 2.35389  Sterimol/B2: 2.62719  Sterimol/B3: 4.75381
  Sterimol/B4: 6.60767  Sterimol/L: 16.7162 
 
 Surface and Volume Properties
  Accessible surface: 553.092  Positive charged surface: 246.24  Negative charged surface: 306.852  Volume: 288.5
  Hydrophobic surface: 193.403  Hydrophilic surface: 359.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02278763
NCID-ZINC01634821