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ASINEX-ZINC04157191

 MMsINC code: MMs00311534
Type: Neutral
Formula: C15H19Br2NO2
SMILES:   BrC1C2C3C(C(C2)C1Br)C(=O)N(C1CCCCC1)C3=O
InChI:   InChI=1/C15H19Br2NO2/c16-12-8-6-9(13(12)17)11-10(8)14(19)18(15(11)20)7-4-2-1-3-5-7/h7-13H,1-6H2/t8-,9+,10-,11+,12-,13+

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Potential Energy
Epot(MMFF94)=78.2482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.13 g/mol  logS: -4.01654  SlogP: 3.9368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152557  Sterimol/B1: 3.40975  Sterimol/B2: 4.33744  Sterimol/B3: 4.57491
  Sterimol/B4: 4.63701  Sterimol/L: 12.7875 
 
 Surface and Volume Properties
  Accessible surface: 494.683  Positive charged surface: 262.863  Negative charged surface: 231.82  Volume: 295.875
  Hydrophobic surface: 303.776  Hydrophilic surface: 190.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.