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CHEMBRIDGE-ZINC00611537

 MMsINC code: MMs00633468
Type: Neutral
Formula: C12H10BrClN2O2
SMILES:   Brc1cc(Cl)c(NC(=O)NCc2occc2)cc1
InChI:   InChI=1/C12H10BrClN2O2/c13-8-3-4-11(10(14)6-8)16-12(17)15-7-9-2-1-5-18-9/h1-6H,7H2,(H2,15,16,17)

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Potential Energy
Epot(MMFF94)=24.1853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.581 g/mol  logS: -4.77234  SlogP: 4.2836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305873  Sterimol/B1: 2.51934  Sterimol/B2: 3.67177  Sterimol/B3: 3.90963
  Sterimol/B4: 4.89092  Sterimol/L: 16.9861 
 
 Surface and Volume Properties
  Accessible surface: 509.681  Positive charged surface: 202.673  Negative charged surface: 307.008  Volume: 252.375
  Hydrophobic surface: 433.245  Hydrophilic surface: 76.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.