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CHEMBRIDGE-ZINC04856186

 MMsINC code: MMs00803606
Type: Neutral
Formula: C11H8BrClO2
SMILES:   Brc1cc(Cl)c(cc1)-c1oc(cc1)CO
InChI:   InChI=1/C11H8BrClO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5,14H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.54 g/mol  logS: -5.12733  SlogP: 4.1212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617891  Sterimol/B1: 2.42166  Sterimol/B2: 2.6526  Sterimol/B3: 3.50605
  Sterimol/B4: 5.97602  Sterimol/L: 14.3351 
 
 Surface and Volume Properties
  Accessible surface: 446.919  Positive charged surface: 187.411  Negative charged surface: 259.508  Volume: 215
  Hydrophobic surface: 371.793  Hydrophilic surface: 75.126
 
 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.