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ASINEX-ZINC00208763

 MMsINC code: MMs00092682
Type: Neutral
Formula: C11H5Br2NO
SMILES:   Brc1cc(Br)c2NC(=O)c3c2c1ccc3
InChI:   InChI=1/C11H5Br2NO/c12-7-4-8(13)10-9-5(7)2-1-3-6(9)11(15)14-10/h1-4H,(H,14,15)

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Potential Energy
Epot(MMFF94)=57.3066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.975 g/mol  logS: -5.76803  SlogP: 3.9305  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.51345e-07  Sterimol/B1: 2.16551  Sterimol/B2: 2.16805  Sterimol/B3: 5.06811
  Sterimol/B4: 6.11429  Sterimol/L: 11.1435 
 
 Surface and Volume Properties
  Accessible surface: 409.275  Positive charged surface: 121.99  Negative charged surface: 276.465  Volume: 212.75
  Hydrophobic surface: 333.165  Hydrophilic surface: 76.11
 
 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.