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CHEMBRIDGE-ZINC00620628

 MMsINC code: MMs00636194
Type: Neutral
Formula: C10H9ClN2O2
SMILES:   Clc1cc2c([nH]c(O)c2NC(=O)C)cc1
InChI:   InChI=1/C10H9ClN2O2/c1-5(14)12-9-7-4-6(11)2-3-8(7)13-10(9)15/h2-4,13,15H,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=56.2716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.647 g/mol  logS: -2.56783  SlogP: 2.4853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501178  Sterimol/B1: 2.98164  Sterimol/B2: 3.08427  Sterimol/B3: 4.47621
  Sterimol/B4: 5.65383  Sterimol/L: 11.9483 
 
 Surface and Volume Properties
  Accessible surface: 420.086  Positive charged surface: 208.69  Negative charged surface: 206.791  Volume: 194.375
  Hydrophobic surface: 291.964  Hydrophilic surface: 128.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.