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ACROSORGANICS-ZINC00390894

 MMsINC code: MMs00007247
Type: Neutral
Formula: C11H10Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C(O)Cn1ccnc1
InChI:   InChI=1/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=38.8649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.12 g/mol  logS: -2.91705  SlogP: 3.2854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399798  Sterimol/B1: 2.45593  Sterimol/B2: 2.682  Sterimol/B3: 3.12742
  Sterimol/B4: 5.89407  Sterimol/L: 14.6421 
 
 Surface and Volume Properties
  Accessible surface: 432.856  Positive charged surface: 215.543  Negative charged surface: 217.313  Volume: 221.5
  Hydrophobic surface: 365.907  Hydrophilic surface: 66.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.