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ACROSORGANICS-ZINC00390893

 MMsINC code: MMs00007246
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-/m1/s1

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Potential Energy
Epot(MMFF94)=38.6114 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: 0.0406788  Sterimol/B1: 2.63273  Sterimol/B2: 2.70677  Sterimol/B3: 3.11367
  Sterimol/B4: 5.725  Sterimol/L: 14.5281 
 
 Surface and Volume Properties
  Accessible surface: 431.137  Positive charged surface: 212.271  Negative charged surface: 218.866  Volume: 222.375
  Hydrophobic surface: 363.164  Hydrophilic surface: 67.973
 
 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.