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NCID-ZINC04975547

 MMsINC code: MMs02423242
Type: Neutral
Formula: C14H20ClNO8
SMILES:   ClC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)C
InChI:   InChI=1/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11+,12+,13+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=60.9427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.766 g/mol  logS: -1.95455  SlogP: 0.3012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220329  Sterimol/B1: 2.00195  Sterimol/B2: 4.57065  Sterimol/B3: 5.31844
  Sterimol/B4: 9.50631  Sterimol/L: 13.5416 
 
 Surface and Volume Properties
  Accessible surface: 591.695  Positive charged surface: 324.164  Negative charged surface: 267.532  Volume: 312.875
  Hydrophobic surface: 380.929  Hydrophilic surface: 210.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.