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APOLLO-ZINC02506848

 MMsINC code: MMs00052319
Type: Neutral
Formula: C7H5Br2FO
SMILES:   Brc1cc(Br)cc(F)c1CO
InChI:   InChI=1/C7H5Br2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.8875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.922 g/mol  logS: -3.63166  SlogP: 3.1094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516027  Sterimol/B1: 2.34422  Sterimol/B2: 2.71478  Sterimol/B3: 2.77952
  Sterimol/B4: 6.14363  Sterimol/L: 11.1706 
 
 Surface and Volume Properties
  Accessible surface: 364.669  Positive charged surface: 114.245  Negative charged surface: 250.424  Volume: 173.25
  Hydrophobic surface: 306.482  Hydrophilic surface: 58.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.