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ENAMINE-ZINC02627331

 MMsINC code: MMs01259724
Type: Neutral
Formula: C11H12ClNO4
SMILES:   Clc1cc(NC(=O)COC(=O)C)ccc1OC
InChI:   InChI=1/C11H12ClNO4/c1-7(14)17-6-11(15)13-8-3-4-10(16-2)9(12)5-8/h3-5H,6H2,1-2H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=63.5715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.673 g/mol  logS: -2.78717  SlogP: 1.8502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202819  Sterimol/B1: 2.37204  Sterimol/B2: 2.59263  Sterimol/B3: 3.1547
  Sterimol/B4: 6.01109  Sterimol/L: 16.1529 
 
 Surface and Volume Properties
  Accessible surface: 480.563  Positive charged surface: 287.981  Negative charged surface: 192.581  Volume: 223.625
  Hydrophobic surface: 377.302  Hydrophilic surface: 103.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.