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PUBCHEM-ZINC05713551

 MMsINC code: MMs03355970
Type: Neutral
Formula: C12H7BrCl2N2O3
SMILES:   Brc1oc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChI:   InChI=1/C12H7BrCl2N2O3/c13-10-4-3-9(20-10)12(19)17-16-11(18)7-2-1-6(14)5-8(7)15/h1-5H,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=64.242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.009 g/mol  logS: -6.2052  SlogP: 3.4237  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.22865e-07  Sterimol/B1: 2.1648  Sterimol/B2: 2.1672  Sterimol/B3: 2.53275
  Sterimol/B4: 6.43183  Sterimol/L: 17.5595 
 
 Surface and Volume Properties
  Accessible surface: 533.2  Positive charged surface: 162.736  Negative charged surface: 370.464  Volume: 268.375
  Hydrophobic surface: 433.465  Hydrophilic surface: 99.735
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.