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ENAMINE-ZINC06852554

 MMsINC code: MMs01706941
Type: Neutral
Formula: C14H12ClNO5
SMILES:   Clc1cc(cc2OCCOc12)COC(=O)c1onc(c1)C
InChI:   InChI=1/C14H12ClNO5/c1-8-4-12(21-16-8)14(17)20-7-9-5-10(15)13-11(6-9)18-2-3-19-13/h4-6H,2-3,7H2,1H3

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Potential Energy
Epot(MMFF94)=73.3511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.705 g/mol  logS: -3.63106  SlogP: 3.03102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061849  Sterimol/B1: 2.47085  Sterimol/B2: 3.81002  Sterimol/B3: 4.46634
  Sterimol/B4: 5.22642  Sterimol/L: 17.0098 
 
 Surface and Volume Properties
  Accessible surface: 541.287  Positive charged surface: 311.16  Negative charged surface: 230.127  Volume: 261.625
  Hydrophobic surface: 449.586  Hydrophilic surface: 91.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.