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ENAMINE-ZINC03316845

 MMsINC code: MMs01367479
Type: Neutral
Formula: C7H5Cl3N2O
SMILES:   Clc1cc(Cl)cnc1NC(=O)CCl
InChI:   InChI=1/C7H5Cl3N2O/c8-2-6(13)12-7-5(10)1-4(9)3-11-7/h1,3H,2H2,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=42.5629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.489 g/mol  logS: -2.87395  SlogP: 2.5657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0124378  Sterimol/B1: 2.37434  Sterimol/B2: 2.37577  Sterimol/B3: 4.08218
  Sterimol/B4: 4.82454  Sterimol/L: 13.1388 
 
 Surface and Volume Properties
  Accessible surface: 395.046  Positive charged surface: 153.126  Negative charged surface: 241.92  Volume: 181.5
  Hydrophobic surface: 268.962  Hydrophilic surface: 126.084
 
 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.