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NCID-ZINC05800985

 MMsINC code: MMs02497791
Type: Neutral
Formula: C15H9Cl2FN2
SMILES:   Clc1cc(Cl)c(F)cc1-c1[nH]nc(c1)-c1ccccc1
InChI:   InChI=1/C15H9Cl2FN2/c16-11-7-12(17)13(18)6-10(11)15-8-14(19-20-15)9-4-2-1-3-5-9/h1-8H,(H,19,20)

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Potential Energy
Epot(MMFF94)=63.7557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.155 g/mol  logS: -6.37484  SlogP: 5.1896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201534  Sterimol/B1: 2.46147  Sterimol/B2: 3.52886  Sterimol/B3: 3.56002
  Sterimol/B4: 4.57259  Sterimol/L: 16.54 
 
 Surface and Volume Properties
  Accessible surface: 502.316  Positive charged surface: 197.096  Negative charged surface: 305.22  Volume: 258.375
  Hydrophobic surface: 441.382  Hydrophilic surface: 60.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.