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ENAMINE-ZINC04871343

 MMsINC code: MMs01561111
Type: Neutral
Formula: C15H16ClNO5
SMILES:   Clc1cc(ccc1)C(NC(=O)COC(=O)C=1OCCOC=1)C
InChI:   InChI=1/C15H16ClNO5/c1-10(11-3-2-4-12(16)7-11)17-14(18)9-22-15(19)13-8-20-5-6-21-13/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=67.0881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.748 g/mol  logS: -3.52936  SlogP: 2.0441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423471  Sterimol/B1: 2.23658  Sterimol/B2: 2.28638  Sterimol/B3: 5.14396
  Sterimol/B4: 6.79251  Sterimol/L: 18.092 
 
 Surface and Volume Properties
  Accessible surface: 582.201  Positive charged surface: 331.898  Negative charged surface: 250.303  Volume: 288.125
  Hydrophobic surface: 457.032  Hydrophilic surface: 125.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.