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AURORAFEINCHEMIE-ZINC06665985

 MMsINC code: MMs00478289
Type: Neutral
Formula: C10H7Cl2NO2
SMILES:   Clc1cc2c(NC(=O)C(C)=C2O)cc1Cl
InChI:   InChI=1/C10H7Cl2NO2/c1-4-9(14)5-2-6(11)7(12)3-8(5)13-10(4)15/h2-3H,1H3,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=33.5438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.077 g/mol  logS: -3.3748  SlogP: 3.2345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011032  Sterimol/B1: 2.0994  Sterimol/B2: 2.51197  Sterimol/B3: 4.12252
  Sterimol/B4: 4.30751  Sterimol/L: 12.2441 
 
 Surface and Volume Properties
  Accessible surface: 397.997  Positive charged surface: 168.41  Negative charged surface: 229.587  Volume: 192.875
  Hydrophobic surface: 297.66  Hydrophilic surface: 100.337
 
 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.