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MAYBRIDGE-ZINC00485177

 MMsINC code: MMs02147528
Type: Neutral
Formula: C14H11Cl2NO
SMILES:   Clc1cc(Cl)cc(\C=N\Cc2ccccc2)c1O
InChI:   InChI=1/C14H11Cl2NO/c15-12-6-11(14(18)13(16)7-12)9-17-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2/b17-9+

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Potential Energy
Epot(MMFF94)=62.2632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.154 g/mol  logS: -4.36029  SlogP: 4.5845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101841  Sterimol/B1: 2.43736  Sterimol/B2: 4.16486  Sterimol/B3: 4.94849
  Sterimol/B4: 5.23922  Sterimol/L: 14.4436 
 
 Surface and Volume Properties
  Accessible surface: 498.866  Positive charged surface: 231.705  Negative charged surface: 267.161  Volume: 250.875
  Hydrophobic surface: 446.972  Hydrophilic surface: 51.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.