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ENAMINE-ZINC06936763

 MMsINC code: MMs01713609
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cc(Cl)cnc1NCc1cc2OCOc2cc1
InChI:   InChI=1/C13H10Cl2N2O2/c14-9-4-10(15)13(17-6-9)16-5-8-1-2-11-12(3-8)19-7-18-11/h1-4,6H,5,7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=57.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.42604  SlogP: 3.9956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758754  Sterimol/B1: 2.13385  Sterimol/B2: 2.68014  Sterimol/B3: 4.28007
  Sterimol/B4: 5.56367  Sterimol/L: 16.6252 
 
 Surface and Volume Properties
  Accessible surface: 501.722  Positive charged surface: 265.195  Negative charged surface: 236.527  Volume: 248.375
  Hydrophobic surface: 418.985  Hydrophilic surface: 82.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.