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ENAMINE-ZINC06789048

 MMsINC code: MMs01698563
Type: Neutral
Formula: C12H11ClN2O2
SMILES:   Clc1cc(NC(=O)c2onc(c2)C)ccc1C
InChI:   InChI=1/C12H11ClN2O2/c1-7-3-4-9(6-10(7)13)14-12(16)11-5-8(2)15-17-11/h3-6H,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=57.1157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.685 g/mol  logS: -3.36229  SlogP: 3.19714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146685  Sterimol/B1: 2.50889  Sterimol/B2: 2.68972  Sterimol/B3: 4.32787
  Sterimol/B4: 4.44723  Sterimol/L: 15.6537 
 
 Surface and Volume Properties
  Accessible surface: 470.468  Positive charged surface: 235.825  Negative charged surface: 234.643  Volume: 223.375
  Hydrophobic surface: 396.345  Hydrophilic surface: 74.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.