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CHEMBRIDGE-ZINC01216518

 MMsINC code: MMs00689508
Type: Neutral
Formula: C18H11BrCl2N2O3
SMILES:   Brc1oc(cc1)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChI:   InChI=1/C18H11BrCl2N2O3/c19-16-8-7-15(26-16)18(25)23-12-4-2-11(3-5-12)22-17(24)13-6-1-10(20)9-14(13)21/h1-9H,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=91.8101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.107 g/mol  logS: -7.94666  SlogP: 5.8535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190332  Sterimol/B1: 3.01538  Sterimol/B2: 3.55445  Sterimol/B3: 4.13446
  Sterimol/B4: 4.82719  Sterimol/L: 22.0943 
 
 Surface and Volume Properties
  Accessible surface: 645.991  Positive charged surface: 237.109  Negative charged surface: 408.882  Volume: 345.125
  Hydrophobic surface: 565.351  Hydrophilic surface: 80.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.