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NCID-ZINC04975544

 MMsINC code: MMs02423241
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)=66.2194 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: 0.131843  Sterimol/B1: 2.71384  Sterimol/B2: 3.34902  Sterimol/B3: 4.72552
  Sterimol/B4: 8.15433  Sterimol/L: 15.1183 
 
 Surface and Volume Properties
  Accessible surface: 595.444  Positive charged surface: 342.563  Negative charged surface: 252.881  Volume: 310
  Hydrophobic surface: 407.364  Hydrophilic surface: 188.08
 
 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.