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MAYBRIDGE-ZINC01033386

 MMsINC code: MMs02150253
Type: Neutral
Formula: C20H13Cl2FN2O
SMILES:   Clc1cc(ccc1Cl)COC=1c2nc(cn2C=CC=1)-c1ccc(F)cc1
InChI:   InChI=1/C20H13Cl2FN2O/c21-16-8-3-13(10-17(16)22)12-26-19-2-1-9-25-11-18(24-20(19)25)14-4-6-15(23)7-5-14/h1-11H,12H2

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Potential Energy
Epot(MMFF94)=84.3735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.241 g/mol  logS: -6.62877  SlogP: 6.3044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447114  Sterimol/B1: 2.52591  Sterimol/B2: 3.71552  Sterimol/B3: 4.64537
  Sterimol/B4: 9.75383  Sterimol/L: 17.1563 
 
 Surface and Volume Properties
  Accessible surface: 631.033  Positive charged surface: 264.8  Negative charged surface: 366.233  Volume: 333.625
  Hydrophobic surface: 595.712  Hydrophilic surface: 35.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.