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NCID-ZINC05940636

 MMsINC code: MMs02512258
Type: Neutral
Formula: C10H18Br4O
SMILES:   BrC(C(Br)CO)(CCC(Br)C(Br)(C)C)C
InChI:   InChI=1/C10H18Br4O/c1-9(2,13)7(11)4-5-10(3,14)8(12)6-15/h7-8,15H,4-6H2,1-3H3/t7-,8+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=82.3004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.869 g/mol  logS: -5.14729  SlogP: 6.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13356  Sterimol/B1: 2.87299  Sterimol/B2: 4.26377  Sterimol/B3: 4.47032
  Sterimol/B4: 4.76383  Sterimol/L: 13.5415 
 
 Surface and Volume Properties
  Accessible surface: 491.847  Positive charged surface: 199.027  Negative charged surface: 292.82  Volume: 294.625
  Hydrophobic surface: 170.026  Hydrophilic surface: 321.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.