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PUBCHEM-ZINC01556708

 MMsINC code: MMs02814372
Type: Neutral
Formula: C11H8Cl3N2O2-
SMILES:   ClC(Cl)(Cl)C([O-])Cc1nc(O)c2c(n1)cccc2
InChI:   InChI=1/C11H8Cl3N2O2/c12-11(13,14)8(17)5-9-15-7-4-2-1-3-6(7)10(18)16-9/h1-4,8H,5H2,(H,15,16,18)/q-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=46.7267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.556 g/mol  logS: -4.22732  SlogP: 3.46707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410281  Sterimol/B1: 3.36863  Sterimol/B2: 3.59338  Sterimol/B3: 4.23717
  Sterimol/B4: 4.61042  Sterimol/L: 14.5503 
 
 Surface and Volume Properties
  Accessible surface: 477.37  Positive charged surface: 164.395  Negative charged surface: 307.841  Volume: 239.75
  Hydrophobic surface: 196.324  Hydrophilic surface: 281.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 1  Basic groups: 0
  Chiral centers: 1
 
 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.