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PUBCHEM-ZINC01043152

 MMsINC code: MMs02760556
Type: Neutral
Formula: C15H9Cl2FN2O
SMILES:   Clc1cccc(F)c1COc1ncnc2c1ccc(Cl)c2
InChI:   InChI=1/C15H9Cl2FN2O/c16-9-4-5-10-14(6-9)19-8-20-15(10)21-7-11-12(17)2-1-3-13(11)18/h1-6,8H,7H2

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Potential Energy
Epot(MMFF94)=39.2786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.154 g/mol  logS: -6.02752  SlogP: 4.9211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797952  Sterimol/B1: 3.81326  Sterimol/B2: 3.87544  Sterimol/B3: 4.73384
  Sterimol/B4: 6.13892  Sterimol/L: 15.3341 
 
 Surface and Volume Properties
  Accessible surface: 519.808  Positive charged surface: 231.825  Negative charged surface: 282.583  Volume: 267.25
  Hydrophobic surface: 446.64  Hydrophilic surface: 73.168
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.