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PUBCHEM-ZINC03130232

 MMsINC code: MMs02998364
Type: Neutral
Formula: C11H11Cl2NO2
SMILES:   Clc1c(C)c(Cl)cc(NC(=O)C(C)=C)c1O
InChI:   InChI=1/C11H11Cl2NO2/c1-5(2)11(16)14-8-4-7(12)6(3)9(13)10(8)15/h4,15H,1H2,2-3H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=60.0034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.12 g/mol  logS: -3.36725  SlogP: 3.52202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264225  Sterimol/B1: 2.57293  Sterimol/B2: 2.97375  Sterimol/B3: 4.49048
  Sterimol/B4: 4.89746  Sterimol/L: 13.2538 
 
 Surface and Volume Properties
  Accessible surface: 451.178  Positive charged surface: 205.678  Negative charged surface: 245.5  Volume: 222.625
  Hydrophobic surface: 340.65  Hydrophilic surface: 110.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.